text:
@article{Adumitroaie2012,
abstract = {A model is presented to predict the mechanical hygro-thermo-elastic properties and strength values of composite materials reinforced with plain woven fabric. The laminate properties are calculated from basic constituents properties (fiber and matrix). A three-dimensional geometrical description of the reinforcing architecture is used. The local strain, stress, and constitutive property fields are evaluated under in-plane loading. Multiple modes of failure are monitored and stress redistribution due to progressive failure is evaluated using a novel approach. The model results are compared with experimental data. {\textcopyright} 2012 Copyright Taylor and Francis Group, LLC.},
author = {Adumitroaie, Adi and Barbero, Ever J.},
doi = {10.1080/15376494.2011.572245},
issn = {1537-6494},
journal = {Mechanics of Advanced Materials and Structures},
keywords = {Composite,Fabric,Hygro-thermal,Plain weave,Stiffness,Strength,Textile},
month = {jan},
number = {1-3},
pages = {169--183},
title = {{Stiffness and Strength Prediction for Plain Weave Textile Reinforced Composites}},
url = {http://www.tandfonline.com/doi/abs/10.1080/15376494.2011.572245},
volume = {19},
year = {2012}
}
@techreport{Chipperfield1994,
author = {Chipperfield, A.J. and Fleming, P.J. and Pohlheim, H. and Fonseca, M.C.},
institution = {University of Sheffield},
title = {{Genetic Algorithm Toolbox User's Guide}},
year = {1994}
}
@article{Wang2000,
abstract = {A minimization method for material characterization of laminated composite plates using static test results is presented. Mechanical responses such as strains and displacements are measured from the static tests of the laminated composite plates. The finite element method is used to analyze the deformation of the laminated composite plates. An error function is established to measure the differences between the experimental and theoretical mechanical responses of the laminated composite plates. The identification of the material elastic constants of the laminated composite plates is formulated as a constrained minimization problem in which the elastic constants are determined by making the error function a global minimum. A number of examples are given to illustrate the feasibility and applications of the proposed method.},
author = {Wang, W.T. and Kam, T.Y.},
doi = {10.1016/S0263-8223(00)00112-4},
issn = {02638223},
journal = {Composite Structures},
month = {dec},
number = {4},
pages = {347--352},
title = {{Material characterization of laminated composite plates via static testing}},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0263822300001124},
volume = {50},
year = {2000}
}
@inproceedings{Wesolowski2009,
abstract = {Dynamic and static methods for a non-destructive characterization of the elastic properties of advanced composites are examined in the present paper. A comparative study is done to find out a preferable approach for the characterization of laminated composites depending on laboratory facilities.},
address = {Edinburgh},
author = {Wesolowski, M. and Barkanov, E. and Rucevskis, S. and Chate, A. and {La Delfa}, G.},
booktitle = {ICCM International Conferences on Composite Materials},
keywords = {Elastic properties,Inverse problem,Laminated composites,Non-destructive techniques,Static test,Vibration test},
title = {{Characterisation of elastic properties of laminated composites by non-destructive techniques}},
year = {2009}
}
@incollection{Wang2000a,
abstract = {The identification of material elastic constants of laminated composite plates using measured natural frequencies is studied. The first three natural frequencies of the lower resonant modes of the laminated composite plates were extracted from the modal testing data of the plates. The finite element method is used to perform the modal analysis of the laminated composite plates. An error function is established to measure the differences between the experimentally and theoretically predicted natural frequencies of the laminated composite plates. The identification of the material elastic constants of the laminated composite plates is formulated as a constrained minimization problem in which the elastic constants are determined by making the error function a global minimum. Test results of a number of laminated composite plates are used to illustrate the feasibility and applications of the proposed method},
author = {Wang, W.T. and Kam, T.Y.},
booktitle = {Advances in Composite Materials and Structures VII},
editor = {Brebbia, C.A. and Blain, W.R. and {De Wilde}, W.P.},
isbn = {1-85312-825-2},
pages = {95--103},
publisher = {WIT Press},
title = {{Determination of elastic constants of composite laminates using measured natural frequencies}},
year = {2000}
}
@incollection{Mal1993,
abstract = {Composites properties obtained from ultrasonic measurements. Elastic properties},
address = {Boston, MA},
author = {Mal, Ajit K. and Lih, Shyh-Shiuh and Bar-Cohen, Yoseph},
booktitle = {Review of Progress in Quantitative Nondestructive Evaluation},
doi = {10.1007/978-1-4615-2848-7_158},
pages = {1233--1240},
publisher = {Springer US},
title = {{Ultrasonic Determination of the Elastic Properties of Unidirectional Composites}},
url = {http://link.springer.com/10.1007/978-1-4615-2848-7{\_}158},
year = {1993}
}
@book{Rose1999,
abstract = {Ultrasonic guided waves in solid media have become a critically important subject in nondestructive testing and structural health monitoring, as new faster, more sensitive, and more economical ways of looking at materials and structures have become possible. This book will lead to fresh creative ideas for use in new inspection procedures. Although the mathematics is sometimes sophisticated, the book can also be read by managers without detailed understanding of the concepts as it can be read from a 'black box' point of view. Overall, the material presented on wave mechanics - in particular, guided wave mechanics - establishes a framework for the creative data collection and signal processing needed to solve many problems using ultrasonic nondestructive evaluation and structural health monitoring. The book can be used as a reference in ultrasonic nondestructive evaluation by professionals and as a textbook for seniors and graduate students. This work extends the coverage of Rose's earlier book Ultrasonic Waves in Solid Media. {\textcopyright} Joseph L. Rose 2014.},
address = {New York},
author = {Rose, Joseph L.},
booktitle = {Ultrasonic Guided Waves in Solid Media},
doi = {10.1017/CBO9781107273610},
isbn = {9781107273610},
publisher = {Cambridge University Press},
title = {{Ultrasonic Guided Waves in Solid Media}},
url = {http://ebooks.cambridge.org/ref/id/CBO9781107273610},
year = {1999}
}
@incollection{Karim1990,
abstract = {We describe an ultrasonic technique for the determination of the dynamic elastic moduli of fiber-reinforced composites through the analysis of guided wave speeds in laboratory specimens in the form of laminates. The wave speeds are measured by means of the leaky wave technique. A functional relationship, called the dispersion equation, Lamb (LLW) between the guided wave speed in the laminate, frequency and the dynamic elastic moduli of the material is derived through the use of a recently developed theoretical procedure. For a given set of data, the relationship is inverted by means of a systematic scheme to obtain the elastic constants of the material.},
address = {Boston, MA},
author = {Karim, M. R. and Mal, A. K. and Bar-Cohen, Y.},
booktitle = {Review of Progress in Quantitative Nondestructive Evaluation},
doi = {10.1007/978-1-4684-5772-8_12},
pages = {109--116},
publisher = {Springer US},
title = {{Determination of the Elastic Constants of Composites Through the Inversion of Leaky Lamb Wave Data}},
url = {http://link.springer.com/10.1007/978-1-4684-5772-8{\_}12},
year = {1990}
}
@article{Rogers1995,
abstract = {A nondestructive technique is described for the measurement of elastic constants of isotropic plates using ultrasonic Rayleigh-Lamb waves. The experimental method employs continuous harmonic waves and a pair of variable-angle contact transducers in pitch-catch mode. The phase velocity of the R-L waves at a particular frequency is determined from the phase shift over a measured path length. This simple experimental technique can measure phase velocity over the range 1-10 mm/mu s with an error of less than 0.5{\%} over a frequency range of 50 kHz-2 MHz. Individual symmetric and antisymmetric modes can be generated through the selection of transducer angle and frequency. Young's modulus and Poisson's ratio for the material are calculated from measurements of frequency and phase velocity by a nonlinear least squares solution to the dispersion equations. The sensitivity of the nonlinear least squares function to the measurement region of the dispersion curve is investigated. It was found that estimations of material properties are more accurate and less sensitive to small experimental errors when only selected frequencies and R-L modes are used in the least squares calculation. This technique is demonstrated with several isotropic materials and with both thick (6 mm) and thin (0.8 mm) plates. Values for elastic constants determined by the contact transducer Lamb wave technique compare favorably with values measured using the pulse-echo-overlap method. The uncertainty in measurements of Young's modulus and Poisson's ratio was less than 1{\%} and 2{\%}, respectively. The technique has advantages over more traditional methods for measuring elastic properties when it is desirable to use wavelengths greater than the plate thickness, when properties may vary with frequency, or when it is necessary to measure in-plane elastic properties of thin plate structures.},
author = {Rogers, W. P.},
doi = {10.1007/BF01606381},
issn = {0934-9847},
journal = {Research in Nondestructive Evaluation},
month = {dec},
number = {4},
pages = {185--208},
title = {{Elastic property measurement using Rayleigh-Lamb waves}},
url = {http://www.springerlink.com/index/10.1007/BF01606381},
volume = {6},
year = {1995}
}
@article{Lamb1917,
abstract = {The theory of waves in an infinitely long cylindrical rod was discussed by Pochharnmer in 1876 in a well-known paper.* The somewhat simpler problem of two-dimensional waves in a solid bounded by parallel planes was considered by Lord Bayleighf and by the present writer{\^{}} in 1889. The main object in these various investigations was to verify, or to ascertain small corrections to, the ordinary theory of the vibrations of thin rods or plates, and the wave-length was accordingly assumed in the end to be great in comparison with the thickness. It occurred to me some time ago that a further examination of the two-dimensional problem was desirable for more than one reason. In the first place, the number of cases in which the various types of vibration of a solid, none of whose dimensions is regarded as small, have been studied is so restricted that any addition to it would have some degree of interest, if merely as a contribution to elastic theory. Again, modern seismology has suggested various questions relating to waves and vibrations in an elastic stratum imagined as resting on matter of a different elasticity and density. These questions naturally present great mathematical difficulties, and it seemed unpromising to attempt any further discussion of them unless the comparatively simple problem which forms the subject of this paper should be found to admit of a practical solution. In itself it has, of course, no bearing on the questions referred to. Even in this case, however, the period-equation is at first sight rather intractable, and it is only recently that a method of dealing with it (now. pretty obvious) has suggested itself. The result is to give, I think, a fairly complete view of the more important modes of vibration of an infinite plate, together with indications as to the character of the higher modes, which are of less interest. I may add that the numerical work has been greatly simplified by the help of the very full and convenient Tables of hyperbolic and circular functions issued by the Smithsonian Institution. || * 'Crelle,' vol. 81, p. 324 ; see also Love, 'Elasticity,' 1906, p. 275. Chap. XL || ' Hyperbolic Functions,' Washington, 1909. I have to thank Mr. J. E. Jones for kindly verifying and, where necessary, correcting my calculations.},
author = {Lamb, H.},
doi = {10.1098/rspa.1917.0008},
issn = {1364-5021},
journal = {Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences},
month = {mar},
number = {648},
pages = {114--128},
title = {{On Waves in an Elastic Plate}},
url = {http://rspa.royalsocietypublishing.org/cgi/doi/10.1098/rspa.1917.0008},
volume = {93},
year = {1917}
}
@article{Worlton1961,
abstract = {A theory formulated in 1916 by Horace Lamb predicting that plates may vibrate in up to an infinite number of modes is confirmed by a method described. The theory is extended to correlate experimental observations. Equations are developed relating phase velocity to frequency and plate thickness in terms of longitudinal and shear wave velocity. Families of curves are obtained for aluminum and zirconium. The distinguishing characteristics of the various modes are discussed in the light of potential nondestructive testing applications. It is shown that the interior particles are displaced in elliptical orbits, with vertical motions existing at the surfaces when the wave velocity is (2)½ shear wave velocity, and horizontal surface motions existing for wave velocities equal to longitudinal wave velocity.},
author = {Worlton, D. C.},
doi = {10.1063/1.1736196},
issn = {0021-8979},
journal = {Journal of Applied Physics},
month = {jun},
number = {6},
pages = {967--971},
title = {{Experimental Confirmation of Lamb Waves at Megacycle Frequencies}},
url = {http://aip.scitation.org/doi/10.1063/1.1736196},
volume = {32},
year = {1961}
}
@incollection{Rose1987,
abstract = {While most measurements previously were made on bulk samples, composite materials are often produced in the form of thin sheets ("skin"). For this type of material, the most important property is the in-plane elasto-aniso- tropic characteristic. To measure this, Lamb waves are fairly adequate. Thompson et al. [8] used low frequency flexural waves (A0 Lamb mode) in the direction of the axis of symmetry for study of honeycomb sandwich panels. For estimation of the stiffness of thin composite plates, it is reasonably adequate to use the low frequency S0 Lamb mode (plate mode). In this paper, the polar characteristics for phase and group velocities of the low frequency S0 Lamb mode were studied in unidirectional, two- directional, and quasi-isotropic graphite-epoxy composite panels. The results of the experimenta were compared with theoretical calculations. The main attention is given to the description of the measurement concepts. EXPERIMENTAL},
address = {Boston, MA},
author = {Rose, W. R. and Rokhlin, S. I. and Adler, L.},
booktitle = {Review of Progress in Quantitative Nondestructive Evaluation},
doi = {10.1007/978-1-4613-1893-4_127},
pages = {1111--1118},
publisher = {Springer US},
title = {{Evaluation of Anisotropic Properties of Graphite-Epoxy Composites Using Lamb Waves}},
url = {http://link.springer.com/10.1007/978-1-4613-1893-4{\_}127},
year = {1987}
}
@article{Dean2008,
abstract = {A method based on fitting the theoretical dispersion curves of Lamb waves to experimental data is presented to determine the thickness and two independent elastic constants of aluminum plates a few millimeters thick. The waves are generated by means of the wedge method using a narrowband source, selecting the wedge angle and the acoustic frequency f so that mainly one mode is excited. A self-developed pulsed electronic speckle pattern interferometry system renders a two dimensional map of the out-of-plane acoustic displacement field at the plate surface, which allows an accurate measurement of the acoustic wavelength lambda(1). For any mode, the relation between lambda(1) and f depends on the three unknown parameters, so at least three experimental measurements (lambda(1i),f(i)) with different frequencies and/or different modes are required to calculate them. The suitability of different Lamb modes to determine each parameter when the others are known is studied, as well as the conditions that the experimental set of values must fulfill to calculate all three parameters. Numerous Lamb modes at different frequencies are generated in each plate, and a fitting is made based on the minimization of the error function, resulting in an accuracy better than 1{\%}.},
author = {De{\'{a}}n, J. Luis and Trillo, Cristina and Doval, {\'{A}}ngel F. and Fern{\'{a}}ndez, Jos{\'{e}} L.},
doi = {10.1121/1.2945707},
issn = {0001-4966},
journal = {The Journal of the Acoustical Society of America},
month = {sep},
number = {3},
pages = {1477--1489},
title = {{Determination of thickness and elastic constants of aluminum plates from full-field wavelength measurements of single-mode narrowband Lamb waves}},
url = {http://asa.scitation.org/doi/10.1121/1.2945707},
volume = {124},
year = {2008}
}
@article{Bartoli2006,
abstract = {This paper deals with a semi-analytical finite element (SAFE) method for modeling wave propagation in waveguides of arbitrary cross-section. The method simply requires the finite element discretization of the cross-section of the waveguide, and assumes harmonic motion along the wave propagation direction. The general SAFE technique is extended to account for viscoelastic material damping by allowing for complex stiffness matrices for the material. The dispersive solutions are obtained in terms of phase velocity, group velocity (for undamped media), energy velocity (for damped media), attenuation, and cross-sectional mode shapes. Knowledge of these properties is important in any structural health monitoring attempt that uses ultrasonic guided waves. The proposed SAFE formulation is applied to several examples, including anisotropic viscoelastic layered plates, composite-to-composite adhesive joints and railroad tracks. {\textcopyright} 2006 Elsevier Ltd. All rights reserved.},
author = {Bartoli, Ivan and Marzani, Alessandro and {Lanza di Scalea}, Francesco and Viola, Erasmo},
doi = {10.1016/j.jsv.2006.01.021},
issn = {0022460X},
journal = {Journal of Sound and Vibration},
month = {aug},
number = {3-5},
pages = {685--707},
title = {{Modeling wave propagation in damped waveguides of arbitrary cross-section}},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0022460X06001179},
volume = {295},
year = {2006}
}
@article{Taupin2011,
abstract = {Guided waves (GW) are very attractive in nondestructive technique applications (eg. Structural Health Monitoring) because of their ability to propagate at long range. In a structure made of composite materials, their propagation is complex due to material anisotropy and to their dispersive and multi-modal nature. Interpreting measurements of GW in such a structure requires a sound grasp of their behaviour. Here, the Semi-Analytical Finite Element (SAFE) method is used for studying GW propagation in viscoelastic multilayered anisotropic plates. Beside classical post-processing techniques used to compute the displacement, dispersion and slowness curves, the Poynting vector is also obtained, allowing us to study energy propagation in complex plate structures. Then, GW propagation in multilayered viscoelastic composite (C-epoxy) plates is studied; different stacking sequences typical of those used to build aeronautical parts are considered. Phase, energy velocities and attenuation are studied for different propagation directions and frequencies. It appears that symmetries of GW behaviour are complex: the axes of symmetry depicting this behaviour do not coincide with those of stacking sequences and depend on frequency. Modes appearing above the first cut-off frequency have such a complex behaviour that they cannot be used in practical applications. {\textcopyright} Published under licence by IOP Publishing Ltd.},
author = {Taupin, L. and Lh{\'{e}}mery, A. and Inqui{\'{e}}t{\'{e}}, G.},
doi = {10.1088/1742-6596/269/1/012002},
issn = {1742-6596},
journal = {Journal of Physics: Conference Series},
month = {jan},
pages = {012002},
title = {{A detailed study of guided wave propagation in a viscoelastic multilayered anisotropic plate}},
url = {http://stacks.iop.org/1742-6596/269/i=1/a=012002?key=crossref.315aec3bfa2d5dc53ff505376b6f3e4a},
volume = {269},
year = {2011}
}
@article{Wang2007,
abstract = {The propagation characteristics of Lamb waves in composites, with emphasis on group velocity and characteristic wave curves, are investigated theoretically and experimentally. In particular, the experimental study focuses on the existence of multiple higher-order Lamb wave modes that can be observed from piezoelectric sensors by the excitation of ultrasonic frequencies. Using three-dimensional (3-D) elasticity theory, the exact dispersion relations governed by transcendental equations are numerically solved for an infinite number of possible wave modes. For symmetric laminates, a robust method by imposing boundary conditions on the mid-plane and top surface is proposed to separate symmetric and anti-symmetric wave modes. A new semi-exact method is developed to calculate group velocities of Lamb waves in composites. Meanwhile, three characteristic wave curves: velocity, slowness, and wave curves are adopted to analyze the angular dependency of Lamb wave propagation. The dispersive and anisotropic behavior of Lamb waves in a two different types of symmetric laminates is studied in detail theoretically. In the experimental study, two surface-mounted piezoelectric actuators are excited either symmetric or anti-symmetric wave modes with narrowband signals, and a Gabor wavelet transform is used to extract group velocities from arrival times of Lamb wave received by a piezoelectric sensor. In comparison with the results from the theory and experiment, it is confirmed that multiple higher-order Lamb waves can be excited from piezoelectric actuators and the measured group velocities agree well with those from 3-D elasticity theory. {\textcopyright} 2006 Elsevier Ltd. All rights reserved.},
author = {Wang, L. and Yuan, F},
doi = {10.1016/j.compscitech.2006.09.023},
issn = {02663538},
journal = {Composites Science and Technology},
keywords = {Dispersion relation,Lamb waves,Phase and Group velocity,Slowness,Structural health monitoring},
month = {jun},
number = {7-8},
pages = {1370--1384},
title = {{Group velocity and characteristic wave curves of Lamb waves in composites: Modeling and experiments}},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0266353806003630},
volume = {67},
year = {2007}
}
@article{Pol2013,
abstract = {A simplified 2D semi-analytical model based on a global matrix method is developed to investigate the dispersion characteristics of propagating guided wave (GW) modes in multilayered composite laminates due to transient surface excitations. A relatively thin symmetric eight layered cross-ply composite laminate subjected to both narrowband and broadband surface excitations is considered. The displacements and stresses in individual laminae are 'exactly' represented in the frequency-wavenumber domain in terms of four unknown constants in each layer, which are then solved by applying the interface continuity conditions and the stress conditions on the free surfaces. Spatial and time domain solutions are obtained after evaluating the wavenumber integral followed by frequency inversion using the fast Fourier transform. It is shown that the wavenumber integral technique can be exploited to obtain the far-field time domain solution for a specific propagating mode in order to study its influence on the response signal. The far-field time histories of the out-of-plane displacements due to vertical surface excitations are calculated and compared with those obtained from finite element modeling using LS-DYNA, showing good agreement between the results. It is demonstrated that the theoretical model allows for separation and identification of individual propagating modes even for broadband excitations, where the effect of dispersion results in a strong shape distortion. However, the contribution of the A0 mode is found to dominate the out-of-plane motion due to vertical surface excitation for all cases considered. {\textcopyright} 2013 Elsevier B.V.},
author = {Pol, Chandrakant B. and Banerjee, Sauvik},
doi = {10.1016/j.wavemoti.2013.04.003},
issn = {01652125},
journal = {Wave Motion},
keywords = {Analytical modeling,Dispersion,Guided wave modes,Laminated composite,Transient excitations,Wavenumber integral},
month = {jul},
number = {5},
pages = {964--978},
title = {{Modeling and analysis of propagating guided wave modes in a laminated composite plate subject to transient surface excitations}},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0165212513000747},
volume = {50},
year = {2013}
}
@article{Beluch2014,
abstract = {The paper deals with the two-scale approach to the identification of material constants in composite materials. Structures made of unidirectionally fibre-reinforced composites are examined. Composite constituents' elastic constants in a micro scale are identified on the basis of measurements performed in a macro scale. Numerical homogenization methods using a representative volume element are employed. Static (displacements in sensor points) and dynamic (eigenfrequencies) data are considered as measurements. Ideal and disturbed measurements are taken into account. Computational intelligence methods in the form of evolutionary algorithms and artificial immune systems are used to perform the identification procedure. Finite element method is used to solve the boundary-value problem for composites in both scales. Numerical examples presenting the effectiveness of the proposed approach are attached. Statistical data are considered to compare the efficiency of the identification procedure for both algorithms and different measurement data.},
author = {Beluch, W. and Burczy{\'{n}}ski, T.},
doi = {10.1016/j.acme.2013.12.007},
issn = {16449665},
journal = {Archives of Civil and Mechanical Engineering},
keywords = {Artificial immune system,Composite,Evolutionary algorithm,Identification,Numerical homogenization},
month = {aug},
number = {4},
pages = {636--646},
title = {{Two-scale identification of composites' material constants by means of computational intelligence methods}},
url = {https://linkinghub.elsevier.com/retrieve/pii/S164496651300160X},
volume = {14},
year = {2014}
}
@article{Ong2016,
abstract = {Typically, numerical simulations of Lamb wave propagation are done using material properties which originate from tensile testing. This approach is well established in relation to isotropic homogenous structures such as aluminium plates. However if this approach is used for woven composites such as carbon fibre reinforced plastics (CFRP), inaccuracies can arise that stem from vastly different stress distributions, strain rates and amplitudes during Lamb wave propagation. In order to account for this, an approach is presented where the elastic properties in a numerical Lamb wave model are optimised to achieve good correlation between model predictions and experimental observations. Since the material properties are determined under a Lamb wave propagation regime, the strain rates and amplitudes are consistent with the intended modelling application. The approach is validated with an experimental case study involving a M18/G939 carbon-epoxy system. The methodology is shown to yield property estimates that furnish simulations that closely match observed behaviours. The optimised properties were significantly different to those supplied by the manufacturer, as much as 52{\%} for the in-plane stiffness. The findings demonstrate that large errors are possible if elastic properties determined using conventional quasi-static testing are used in Lamb wave simulations pertaining to woven composite materials.},
author = {Ong, W.H. and Rajic, N. and Chiu, W.K. and Rosalie, C.},
doi = {10.1016/j.compstruct.2015.12.017},
issn = {02638223},
journal = {Composite Structures},
keywords = {CFRP plate,Elastic properties,Lamb wave simulation,Woven composite},
month = {may},
pages = {24--31},
title = {{Determination of the elastic properties of woven composite panels for Lamb wave studies}},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0263822315011071},
volume = {141},
year = {2016}
}
@book{Vinson1989,
abstract = {Aims and Scope of the Series The fundamental questions arising in mechanics are: Why?, How?, and How much? The aim of this series is to provide lucid accounts written by authoritative researchers giving vision and insight in answering these questions on the subject of mechanics as it relates to solids. The scope of the series covers the entire spectrum of solid mechanics. Thus it includes the foundation of mechanics; variational formulations; computational mechanics; statics, kinematics and dynamics of rigid and elastic bodies: vibrations of solids and structures; dynamical systems and chaos; the theories of elasticity, plasticity and viscoelasticity; composite materials; rods, beams, shells and membranes; structural control and stability; soils, rocks and geomechanics; fracture; tribology; experimental mechanics; biomechanics and machine design. The median level of presentation is the first year graduate student. Some texts are mono-graphs defining the current state of the field; others are accessible to final year under-graduates; but essentially the emphasis is on readability and clarity. For a list of related mechanics titles, see final pages.},
address = {Dorchester},
author = {Vinson, Jack R. and Sierakowski, Robert L.},
publisher = {Nijhoff},
title = {{The Behavior of Structures Composed of Composite Materials}},
year = {1989}
}
@article{Ditri1993,
abstract = {In a recent paper [1] the effective elastic constants of a [0, +/- 45,0]36 graphite epoxy laminated composite were determined by ultrasonic wave velocity information, and the Young's moduli calculated from these constants were compared to those obtained using a quasi-static loading technique for six different directions. In this article, the previously obtained results are compared to those predicted using a three-dimensional static effective modulus theory [2]. It is shown that, if low frequency ultrasonic waves are used, the calculated Young's moduli compare favorably with both the static measurements and those predicted by the effective modulus theory. Comments on the applicability of the various measurement techniques for different purposes are also discussed.},
author = {Ditri, John J. and Rose, Joseph L.},
doi = {10.1177/002199839302700905},
issn = {0021-9983},
journal = {Journal of Composite Materials},
month = {sep},
number = {9},
pages = {934--943},
title = {{An Experimental Study on the Use of Static Effective Modulus Theories in Dynamic Problems}},
url = {http://journals.sagepub.com/doi/10.1177/002199839302700905},
volume = {27},
year = {1993}
}
@article{Kudela2016,
abstract = {SUMMARY The proposed spectral element method implementation is based on sparse matrix storage of local shape func-tion derivatives calculated at Gauss–Lobatto – Legendre points. The algorithm utilizes two basic operations: multiplication of sparse matrix by vector and element-by-element vectors multiplication. Compute-intensive operations are performed for a part of equation of motion derived at the degree of freedom level of 3D isopara-metric spectral elements. The assembly is performed at the force vector in such a way that atomic operations are minimized. This is achieved by a new mesh coloring technique The proposed parallel implementation of spectral element method on GPU is applied for the first time for Lamb wave simulations. It has been found that computation on multicore GPU is up to 14 times faster than on single CPU.},
author = {Kudela, Pawel},
doi = {10.1002/nme.5119},
issn = {00295981},
journal = {International Journal for Numerical Methods in Engineering},
keywords = {GPU computing,Lamb waves,Parallel implementation,Spectral element method},
month = {may},
number = {6},
pages = {413--429},
title = {{Parallel implementation of spectral element method for Lamb wave propagation modeling}},
url = {http://doi.wiley.com/10.1002/nme.5119},
volume = {106},
year = {2016}
}
@article{Tan1997,
abstract = {Woven fabric has been recognized as one of the widely used materials in the aerospace industry. In order to effectively utilize this material, it is necessary to evaluate its mechanical properties. In this paper a three-dimensional multi-scaled modelling technique has been developed to investigate the linear elastic properties of single-ply opened-packing woven fabrics for pure tension and shear responses. This technique is accomplished by introducing a number of new three-dimensional macro- and micro-blocks. Thus, this technique can be considered as a full three-dimensional modelling technique. In order to verify the capability of this method, some theoretical and finite-element analysis (FEA) numerical studies were carried out for four types of opened-packing woven fabric unit cells. It was shown that there exists a good agreement between the theoretical results and those predicted using the FEA models. The trends of the stiffness and engineering elastic constants with n g , which denotes a warp (or weft) yarn is interlaced with every n g th weft (or warp) yarn, were also investigated. For the in-plane elastic properties, the present results correlate well with those available in the literature. {\textcopyright} 1997 Elsevier Science Ltd.},
author = {Tan, P. and Tong, L. and Steven, G.P.},
doi = {10.1016/S0263-8223(97)00061-5},
issn = {02638223},
journal = {Composite Structures},
month = {may},
number = {1-4},
pages = {261--271},
title = {{A three-dimensional modelling technique for predicting the linear elastic property of opened-packing woven fabric unit cells}},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0263822397000615},
volume = {38},
year = {1997}
}
@article{Kersemans2014,
abstract = {Already in the early 1980's, it has been conjectured that the pulsed ultrasonic polar scan (P-UPS) provides a unique fingerprint of the underlying mechanical elasticity tensor at the insonified material spot. Until now, that premise has not been thoroughly investigated, nor validated, despite the opportunities this would create for NDT and materials science in general. In this paper, we report on the first-ever implementation of an inverse modeling technique on the basis of a genetic optimization scheme in order to extract quantitative information from a P-UPS. We validate the optimization approach for synthetic data, and apply it to experimentally obtained polar scans for annealed aluminum, cold rolled DC-06 steel as well as for carbon fiber reinforced plastics. The investigated samples are plate-like and do not require specific preparation. The inverted material characteristics show good agreement with literature, micro-mechanical models as well as with results obtained through conventional testing procedures. {\textcopyright} 2014 Society for Experimental Mechanics.},
author = {Kersemans, M. and Martens, A. and Lammens, N. and {Van Den Abeele}, K. and Degrieck, J. and Zastavnik, F. and Pyl, L. and Sol, H. and {Van Paepegem}, W.},
doi = {10.1007/s11340-014-9861-7},
issn = {0014-4851},
journal = {Experimental Mechanics},
keywords = {Characterization,Elastic properties,Metals and composites,Polar scan,Ultrasound},
month = {jul},
number = {6},
pages = {1121--1132},
title = {{Identification of the Elastic Properties of Isotropic and Orthotropic Thin-Plate Materials with the Pulsed Ultrasonic Polar Scan}},
url = {http://link.springer.com/10.1007/s11340-014-9861-7},
volume = {54},
year = {2014}
}
@article{Scida1998,
abstract = {A micromechanical model called MESOTEX is presented for prediction of the elastic behaviour of composites reinforced with non-hybrid weave (plain weave, satin weave and twill weave) and hybrid weave (hybrid plain weave and hybrid twill weave) fabrics. By using the classical thin laminate theory applied to each woven structure, this analytical model takes into account the strand undulations in the two directions and also integrates the geometrical and mechanical parameters of each constituent (resin, fill and warp strands). A representative volume is chosen for each woven composite and the fibre architecture is described by several functions. To determine the effectiveness of this analysis, the elastic properties predicted for each woven composite are compared with experimental results and results extracted from the literature. This correlation shows excellent agreement between measured and predicted values, with a very low calculation cost (CPU time of less than 0-01 s). {\textcopyright} 1998 Elsevier Science Ltd. All rights reserved.},
author = {Scida, D. and Aboura, Z. and Benzeggagh, M.L. and Bocherens, E.},
doi = {10.1016/S0266-3538(97)00105-X},
issn = {02663538},
journal = {Composites Science and Technology},
keywords = {A. hybrid composite,A. textile composite,B. mechanical properties,C. laminate theory,Elastic properties},
month = {jan},
number = {12},
pages = {1727--1740},
title = {{Prediction of the elastic behaviour of hybrid and non-hybrid woven composites}},
url = {https://linkinghub.elsevier.com/retrieve/pii/S026635389700105X},
volume = {57},
year = {1998}
}
@article{Barbero2006,
abstract = {The aim of this work is to develop accurate finite element models of plain weave fabrics to determine their mechanical properties. This work also aims at developing a method for describing the internal geometry from actual measurements of tow geometry made on photomicrographs of sectioned laminates. The geometric models needed for finite element discretization of the plain weave fabrics are developed for a variety of plain-weave reinforced laminates for which experimental data is available in the literature. These include single lamina composites from three sources, as well as laminates in iso-phase and out-of-phase configurations. The procedures to determine all the elastic moduli using iso-strain, iso-stress, and classical lamination theory are presented. Comparisons with experimental data and with predictions using the periodic microstructure model are provided in order to support the validity of the proposed models. {\textcopyright} 2005 Elsevier Ltd. All rights reserved.},
author = {Barbero, E.J. and Trovillion, J. and Mayugo, J.A. and Sikkil, K.K.},
doi = {10.1016/j.compstruct.2005.01.030},
issn = {02638223},
journal = {Composite Structures},
keywords = {Composite,Experimental,Fabric,Geometry,Microstructure,Modeling,Optical,Plain weave},
month = {may},
number = {1},
pages = {41--52},
title = {{Finite element modeling of plain weave fabrics from photomicrograph measurements}},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0263822305000292},
volume = {73},
year = {2006}
}
@article{Rose1991,
abstract = {The subject of anisotropic elastic constant determination with a practical one-sided, multi-mode ultrasonic technique is presented along with comparisons with a more traditional cube cutting technique. Results are presented for},
author = {Rose, Joseph L. and Ditri, John J. and Huang, Yimei and Dandekar, Dattatraya P. and Chou, Shun-Chin},
doi = {10.1007/BF00567098},
issn = {0195-9298},
journal = {Journal of Nondestructive Evaluation},
keywords = {Composites,Rayleigh waves,anisotropic elastic moduli,single-sided access},
month = {dec},
number = {4},
pages = {159--166},
title = {{One-sided ultrasonic inspection technique for the elastic constant determination of advanced anisotropic materials}},
url = {http://link.springer.com/10.1007/BF00567098},
volume = {10},
year = {1991}
}
@inproceedings{Grimberg2010,
author = {Grimberg, Raimond and Savin, Adriana and Steigmann, Rozina and Stanciu, Mariana Domnica and Grum, Janez},
booktitle = {2nd International Symposium on NDT in Aerospace},
pages = {1--8},
title = {{Determination of Elastic Properties of CFRP Using Lamb Waves Resonant Spectroscopy}},
year = {2010}
}
@article{Chiao1980,
author = {Chiao, TT and Lien, PL and Reifsnider, KL and Morgan, RJ and Hahn, HT},
doi = {10.1520/CTR10702J},
issn = {08846804},
journal = {Journal of Composites Technology and Research},
number = {3},
pages = {5},
title = {{Simplified Formulas for Elastic Moduli of Unidirectional Continuous Fiber Composites}},
url = {http://www.astm.org/doiLink.cgi?CTR10702J},
volume = {2},
year = {1980}
}
@article{Kudela2007,
author = {Kudela, P. and Krawczuk, M. and Ostachowicz, W.},
doi = {10.1016/j.jsv.2006.07.031},
issn = {0022460X},
journal = {Journal of Sound and Vibration},
month = {feb},
number = {1-2},
pages = {88--100},
title = {{Wave propagation modelling in 1D structures using spectral finite elements}},
url = {http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2{\&}SrcAuth=ORCID{\&}SrcApp=OrcidOrg{\&}DestLinkType=FullRecord{\&}DestApp=WOS{\_}CPL{\&}KeyUT=WOS:000243505700007{\&}KeyUID=WOS:000243505700007 https://linkinghub.elsevier.com/retrieve/pii/S0022460X0600647X},
volume = {300},
year = {2007}
}

repository: IFFM-PAS-MISD/lamb-opt

repo_name: IFFM-PAS-MISD/lamb-opt


text:
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DESCRIPTION = "Sets the visual appearance of the X root window"
LICENSE = "MIT"
DEPENDS += "libxmu xbitmaps"
PE = "1"

SRC_URI[archive.md5sum] = "9af7db9f3052aef0b11636720b3101dd"
SRC_URI[archive.sha256sum] = "4f9a751f4830d479fae8ccb68ed04896dc99612789310b7917bd15c04aa3351d"

license: MIT

license_type: permissive

branch_name: refs/heads/master

extension: bb


text:
% abbreviations: library.caltech.edu/reference/abbreviations/
% QMC

@article{Anderson_DMC,
   author = "Anderson, James B.",
   title = "A random‐walk simulation of the Schrödinger equation: H+3",
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   doi = "10.1063/1.431514"
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@article{Stuart_Review,
author = {Rothstein, Stuart M.},
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}

@article{Needs_Review,
  author={R J Needs and M D Towler and N D Drummond and P L\'pez R\'ios},
  title={Continuum variational and diffusion quantum Monte Carlo calculations},
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  year={2010}
}

@article{Needs_Old_Review,
author = {Needs, R. J. and Towler, M. D.},
title = {The Diffusion Quantum Monte Carlo Method: Designing Trial Wave Functions For NiO},
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}

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author = {Levine, Benjamin G. and Mart\'inez, Todd J.},
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}

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@incollection{Ceperley_QMC,
year={1984},
isbn={978-94-009-6386-3},
booktitle={Monte Carlo Methods in Quantum Problems},
volume={125},
series={NATO ASI Series},
editor={Kalos, MalvinH.},
doi={10.1007/978-94-009-6384-9_6},
title={A Review of Quantum Monte Carlo Methods and Results for Coulombic Systems},
url={10.1007/978-94-009-6384-9_6},
publisher={Springer Netherlands},
author={Ceperley, D.},
pages={47-57},
language={English}
}

@article{Tubman_Release,
   author = "Tubman, Norm M. and DuBois, Jonathan L and Hood, Randolph Q. and Alder, Berni J.",
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@inbook{Tubman_ACS,
author = {Norm M. Tubman and Jonathan L. DuBois and Berni J. Alder},
title = {Recent Results in the Exact Treatment of Fermions at Zero and Finite Temperature},
booktitle = {Advances in Quantum Monte Carlo},
chapter = {5},
pages = {41-50},
doi = {10.1021/bk-2012-1094.ch004},
url = {http://pubs.acs.org/doi/abs/10.1021/bk-2012-1094.ch004},
}

%noBO

@article{Handy_DBOC,
   author = "Handy, Nicholas C. and Yamaguchi, Yukio and Schaefer, Henry F.",
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@article{Tubman_ECG,
  title = {Beyond the Born-Oppenheimer approximation with quantum Monte Carlo methods},
  author = {Tubman, Norm M. and Kyl\"anp\"a\"a, Ilkka and Hammes-Schiffer, Sharon and Ceperley, David M.},
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@article{Ilkka_Path,
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@article{Ilkka_Path1,
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@article{Ilkka_Path2,
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@article{Sharon_NEO-HF,
   author = "Webb, Simon P. and Iordanov, Tzvetelin and Hammes-Schiffer, Sharon",
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}

@article{Sharon_XCNEO-HF,
author = {Swalina, Chet and Pak, Michael V. and Chakraborty, Arindam and Hammes-Schiffer, Sharon},
title = {Explicit Dynamical Electron−Proton Correlation in the Nuclear−Electronic Orbital Framework},
journal = {J. Phys. Chem. A},
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number = {33},
pages = {9983-9987},
year = {2006},
doi = {10.1021/jp0634297},
url = { 10.1021/jp0634297},
}

@article{Sharon_XCNEO-HF1,
   author = "Chakraborty, Arindam and Pak, Michael V. and Hammes-Schiffer, Sharon",
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}

@article{Sharon_XCNEO-HF2,
   author = "Sirjoosingh, Andrew and Pak, Michael V. and Swalina, Chet and Hammes-Schiffer, Sharon",
   title = "Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Theoretical formulation",
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}

@article{Kurt_XCNEO-HF,
   author = "Brorsen, Kurt R. and Sirjoosingh, Andrew and Pak, Michael V. and Hammes-Schiffer, Sharon",
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@article{Kurt_XCNEO-HF1,
   author = "Sirjoosingh, Andrew and Pak, Michael V. and Brorsen, Kurt R. and Hammes-Schiffer, Sharon",
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@article{Sharon_NEO-DFT,
  title = {Development of Electron-Proton Density Functionals for Multicomponent Density Functional Theory},
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@article{Sharon_NEO-DFT1,
   author = "Chakraborty, Arindam and Pak, Michael V. and Hammes-Schiffer, Sharon",
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}

@article{Sharon_NEO-DFT3,
author = {Sirjoosingh, Andrew and Pak, Michael V. and Hammes-Schiffer, Sharon},
title = {Derivation of an Electron–Proton Correlation Functional for Multicomponent Density Functional Theory within the Nuclear–Electronic Orbital Approach},
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}

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@article{Mazzola_FiniteT,
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}

@article{Sirjoosingh_PCET,
author = {Sirjoosingh, Andrew and Hammes-Schiffer, Sharon},
title = {Proton-Coupled Electron Transfer versus Hydrogen Atom Transfer: Generation of Charge-Localized Diabatic States},
journal = {J. Phys. Chem. A},
volume = {115},
number = {11},
pages = {2367-2377},
year = {2011},
doi = {10.1021/jp111210c},
    note ={PMID: 21351757},
url = {10.1021/jp111210c},
}

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   doi = "10.1063/1.468656"
}

@article{Coldwell_H2_2008,
   author = "Alexander, S. A. and Coldwell, R. L.",
   title = "Fully nonadiabatic properties of all H2 isotopomers",
   journal = "J. Chem. Phys.",
   year = "2008",
   volume = "129",
   number = "11",
   eid = 114306,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/129/11/10.1063/1.2978172",
   doi = "10.1063/1.2978172"
}

@article{Gabriele_H2_2004,
  title = {Borromean binding in ${\mathrm{H}}_{2}$ with Yukawa potential: A nonadiabatic quantum Monte Carlo study},
  author = {Bertini, Luca and Mella, Massimo and Bressanini, Dario and Morosi, Gabriele},
  journal = {Phys. Rev. A},
  volume = {69},
  issue = {4},
  pages = {042504},
  numpages = {5},
  year = {2004},
  month = {Apr},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevA.69.042504},
  url = {http://link.aps.org/doi/10.1103/PhysRevA.69.042504}
}

@article{Sandro_finiteT-noBO_2012,
   author = "Mazzola, Guglielmo and Zen, Andrea and Sorella, Sandro",
   title = "Finite-temperature electronic simulations without the Born-Oppenheimer constraint",
   journal = "J. Chem. Phys.",
   year = "2012",
   volume = "137",
   number = "13",
   eid = 134112,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/137/13/10.1063/1.4755992",
   doi = "10.1063/1.4755992"
}

% Linear Optimization Method
@article{Nightingale_Linear,
  title = {Optimization of Ground- and Excited-State Wave Functions and van der Waals Clusters},
  author = {Nightingale, M. and Melik-Alaverdian, Vilen},
  journal = {Phys. Rev. Lett.},
  volume = {87},
  issue = {4},
  pages = {043401},
  numpages = {4},
  year = {2001},
  month = {Jul},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevLett.87.043401},
  url = {http://link.aps.org/doi/10.1103/PhysRevLett.87.043401}
}

@article{Umrigar_Linear,
  title = {Energy and Variance Optimization of Many-Body Wave Functions},
  author = {Umrigar, C. and Filippi, Claudia},
  journal = {Phys. Rev. Lett.},
  volume = {94},
  issue = {15},
  pages = {150201},
  numpages = {4},
  year = {2005},
  month = {Apr},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevLett.94.150201},
  url = {http://link.aps.org/doi/10.1103/PhysRevLett.94.150201}
}

@article{Umrigar_Alleviation,
  title = {Alleviation of the Fermion-Sign Problem by Optimization of Many-Body Wave Functions},
  author = {Umrigar, C. J. and Toulouse, Julien and Filippi, Claudia and Sorella, S. and Hennig, R. G.},
  journal = {Phys. Rev. Lett.},
  volume = {98},
  issue = {11},
  pages = {110201},
  numpages = {4},
  year = {2007},
  month = {Mar},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevLett.98.110201},
  url = {http://link.aps.org/doi/10.1103/PhysRevLett.98.110201}
}

%  Benchmark papers

@article{Klopper_IP,
  title = {Sub-meV accuracy in first-principles computations of the ionization potentials and electron affinities of the atoms H to Ne},
  author = {Klopper, Wim and Bachorz, Rafa\l{} A. and Tew, David P. and H\"attig, Christof},
  journal = {Phys. Rev. A},
  volume = {81},
  issue = {2},
  pages = {022503},
  numpages = {6},
  year = {2010},
  month = {Feb},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevA.81.022503},
  url = {http://link.aps.org/doi/10.1103/PhysRevA.81.022503}
}

@article{NIST_Atoms,
   author = "Sansonetti, J. E. and Martin, W. C.",
   title = "Handbook of Basic Atomic Spectroscopic Data",
   journal = "J. Phys. Chem. Ref. Data",
   year = "2005",
   volume = "34",
   number = "4",
   pages = "1559-2259",
   url = "http://scitation.aip.org/content/aip/journal/jpcrd/34/4/10.1063/1.1800011",
   doi = "10.1063/1.1800011"
}

@article{Davidson_Atoms,
  title = {Ground-state correlation energies for atomic ions with 3 to 18 electrons},
  author = {Chakravorty, Subhas J. and Gwaltney, Steven R. and Davidson, Ernest R. and Parpia, Farid A. and Fischer, Charlotte F.},
  journal = {Phys. Rev. A},
  volume = {47},
  issue = {5},
  pages = {3649--3670},
  numpages = {0},
  year = {1993},
  month = {May},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevA.47.3649},
  url = {http://link.aps.org/doi/10.1103/PhysRevA.47.3649}
}

@article{Merkt_H2,
   author = "Liu, Jinjun and Salumbides, Edcel J. and Hollenstein, Urs and Koelemeij, Jeroen C. J. and Eikema, Kjeld S. E. and Ubachs, Wim and Merkt, Frédéric",
   title = "Determination of the ionization and dissociation energies of the hydrogen molecule",
   journal = "J. Chem. Phys.",
   year = "2009",
   volume = "130",
   number = "17",
   eid = 174306,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/130/17/10.1063/1.3120443",
   doi = "10.1063/1.3120443"
}

@article{Clark_Bench,
   author = "Clark, Bryan K. and Morales, Miguel A. and McMinis, Jeremy and Kim, Jeongnim and Scuseria, Gustavo E.",
   title = "Computing the energy of a water molecule using multideterminants: A simple, efficient algorithm",
   journal = "J. Chem. Phys.",
   year = "2011",
   volume = "135",
   number = "24",
   eid = 244105,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/135/24/10.1063/1.3665391",
   doi = "10.1063/1.3665391"
}
@article{Brown_Bench,
   author = "Brown, M. D. and Trail, J. R. and L\'opez R\'ios, P. and Needs, R. J.",
   title = "Energies of the first row atoms from quantum Monte Carlo",
   journal = "J. Chem. Phys.",
   year = "2007",
   volume = "126",
   number = "22",
   eid = 224110,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/126/22/10.1063/1.2743972",
   doi = "10.1063/1.2743972"
}
@article{Toulouse_Bench,
   author = "Toulouse, Julien and Umrigar, C. J.",
   title = "Full optimization of Jastrow–Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules",
   journal = "J. Chem. Phys.",
   year = "2008",
   volume = "128",
   number = "17",
   eid = 174101,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/128/17/10.1063/1.2908237",
   doi = "10.1063/1.2908237"
}
@article{Seth_Bench,
   author = "Seth, P. and R\'ios, P. L\'opez and Needs, R. J.",
   title = "Quantum Monte Carlo study of the first-row atoms and ions",
   journal = "J. Chem. Phys.",
   year = "2011",
   volume = "134",
   number = "8",
   eid = 084105,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/134/8/10.1063/1.3554625",
   doi = "10.1063/1.3554625"
}
@article{Morale_Bench,
author = {Morales, Miguel A. and McMinis, Jeremy and Clark, Bryan K. and Kim, Jeongnim and Scuseria, Gustavo E.},
title = {Multideterminant Wave Functions in Quantum Monte Carlo},
journal = {J. Chem. Theory Comput.},
volume = {8},
number = {7},
pages = {2181-2188},
year = {2012},
doi = {10.1021/ct3003404},
url = { 10.1021/ct3003404},
}
@article{Rappe_Bench,
   author = "Lee, Myung Won and Mella, Massimo and Rappe, Andrew M.",
   title = "Electronic quantum Monte Carlo calculations of atomic forces, vibrations, and anharmonicities",
   journal = "J. Chem. Phys.",
   year = "2005",
   volume = "122",
   number = "24",
   eid = 244103,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/122/24/10.1063/1.1924690",
   doi = "10.1063/1.1924690"
}

@article{Anderson_Bench,
   author = "Lüchow, Arne and Anderson, James B.",
   title = "First‐row hydrides: Dissociation and ground state energies using quantum Monte Carlo",
   journal = "J. Chem. Phys.",
   year = "1996",
   volume = "105",
   number = "17",
   pages = "7573-7578",
   url = "http://scitation.aip.org/content/aip/journal/jcp/105/17/10.1063/1.472584",
   doi = "10.1063/1.472584"
}

@article{Booth_FCIQMC,
   author = "Booth, George H. and Alavi, Ali",
   title = "Approaching chemical accuracy using full configuration-interaction quantum Monte Carlo: A study of ionization potentials",
   journal = "J. Chem. Phys.",
   year = "2010",
   volume = "132",
   number = "17",
   eid = 174104,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/132/17/10.1063/1.3407895",
   doi = "10.1063/1.3407895"
}

@article{Shiwei_AFQMC,
  title = {Quantum Monte Carlo Method using Phase-Free Random Walks with Slater Determinants},
  author = {Zhang, Shiwei and Krakauer, Henry},
  journal = {Phys. Rev. Lett.},
  volume = {90},
  issue = {13},
  pages = {136401},
  numpages = {4},
  year = {2003},
  month = {Apr},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevLett.90.136401},
  url = {http://link.aps.org/doi/10.1103/PhysRevLett.90.136401}
}

@article{Nakashima_Li+,
   author = "Nakashima, Hiroyuki and Nakatsuji, Hiroshi",
   title = "Solving the Schrödinger equation for helium atom and its isoelectronic ions with the free iterative complement interaction (ICI) method",
   journal = "J. Chem. Phys.",
   year = "2007",
   volume = "127",
   number = "22",
   eid = 224104,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/127/22/10.1063/1.2801981",
   doi = "10.1063/1.2801981"
}

@article{Stanke_Li,
  title = {Accuracy limits on the description of the lowest $S$ excitation in the Li atom using explicitly correlated Gaussian basis functions},
  author = {Stanke, Monika and Komasa, Jacek and K\ifmmode \mbox{\c{e}}\else \c{e}\fi{}dziera, Dariusz and Bubin, Sergiy and Adamowicz, Ludwik},
  journal = {Phys. Rev. A},
  volume = {78},
  issue = {5},
  pages = {052507},
  numpages = {8},
  year = {2008},
  month = {Nov},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevA.78.052507},
  url = {http://link.aps.org/doi/10.1103/PhysRevA.78.052507}
}
@article{Stanke_Be,
  title = {Five lowest $^{1}S$ states of the Be atom calculated with a finite-nuclear-mass approach and with relativistic and QED corrections},
  author = {Stanke, Monika and Komasa, Jacek and Bubin, Sergiy and Adamowicz, Ludwik},
  journal = {Phys. Rev. A},
  volume = {80},
  issue = {2},
  pages = {022514},
  numpages = {6},
  year = {2009},
  month = {Aug},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevA.80.022514},
  url = {http://link.aps.org/doi/10.1103/PhysRevA.80.022514}
}
@article{Bubin_B,
  title = {Correlated-Gaussian calculations of the ground and low-lying excited states of the boron atom},
  author = {Bubin, Sergiy and Adamowicz, Ludwik},
  journal = {Phys. Rev. A},
  volume = {83},
  issue = {2},
  pages = {022505},
  numpages = {5},
  year = {2011},
  month = {Feb},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevA.83.022505},
  url = {http://link.aps.org/doi/10.1103/PhysRevA.83.022505}
}
@article{Bubin_B+,
   author = "Bubin, Sergiy and Komasa, Jacek and Stanke, Monika and Adamowicz, Ludwik",
   title = "Isotope shifts of the three lowest S1 states of the B+ ion calculated with a finite-nuclear-mass approach and with relativistic and quantum electrodynamics corrections",
   journal = "J. Chem. Phys.",
   year = "2010",
   volume = "132",
   number = "11",
   eid = 114109,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/132/11/10.1063/1.3358999",
   doi = "10.1063/1.3358999"
}
@article{Bubin_C+,
   author = "Bubin, Sergiy and Adamowicz, Ludwik",
   title = "Accurate variational calculations of the ground 2Po(1s22s22p) and excited 2S(1s22s2p2) and 2Po(1s22s23p) states of singly ionized carbon atom",
   journal = "J. Chem. Phys.",
   year = "2011",
   volume = "135",
   number = "21",
   eid = 214104,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/135/21/10.1063/1.3664900",
   doi = "10.1063/1.3664900"
}

@article{Bubin_C,
author = {Bubin, Sergiy and Pavanello, Michele and Tung, Wei-Cheng and Sharkey, Keeper L. and Adamowicz, Ludwik},
title = {Born–Oppenheimer and Non-Born–Oppenheimer, Atomic and Molecular Calculations with Explicitly Correlated Gaussians},
journal = {Chem. Rev.},
volume = {113},
number = {1},
pages = {36-79},
year = {2013},
doi = {10.1021/cr200419d},
url = { 10.1021/cr200419d},
}

@article{Puchalski_Be+,
  title = {Ground state of Li and ${\text{Be}}^{+}$ using explicitly correlated functions},
  author = {Puchalski, Mariusz and K\ifmmode \mbox{\c{e}}\else \c{e}\fi{}dziera, Dariusz and Pachucki, Krzysztof},
  journal = {Phys. Rev. A},
  volume = {80},
  issue = {3},
  pages = {032521},
  numpages = {7},
  year = {2009},
  month = {Sep},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevA.80.032521},
  url = {http://link.aps.org/doi/10.1103/PhysRevA.80.032521}
}

@article{Sharkey_N,
   author = "Sharkey, Keeper L. and Adamowicz, Ludwik",
   title = "An algorithm for nonrelativistic quantum-mechanical finite-nuclear-mass variational calculations of nitrogen atom in L = 0, M = 0 states using all-electrons explicitly correlated Gaussian basis functions",
   journal = "J. Chem. Phys.",
   year = "2014",
   volume = "140",
   number = "17",
   eid = 174112,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/140/17/10.1063/1.4873916",
   doi = "10.1063/1.4873916"
}

@article{Bubin_LiH_noBO,
   author = "Bubin, Sergiy and Adamowicz, Ludwik and Molski, Marcin",
   title = "An accurate non-Born–Oppenheimer calculation of the first purely vibrational transition in LiH molecule",
   journal = "J. Chem. Phys.",
   year = "2005",
   volume = "123",
   number = "13",
   eid = 134310,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/123/13/10.1063/1.2047487",
   doi = "10.1063/1.2047487"
}
@article{Bubin_LiH-_noBO,
   author = "Bubin, Sergiy and Adamowicz, Ludwik",
   title = "Nonrelativistic molecular quantum mechanics without approximations: Electron affinities of LiH and LiD",
   journal = "J. Chem. Phys.",
   year = "2004",
   volume = "121",
   number = "13",
   pages = "6249-6253",
   url = "http://scitation.aip.org/content/aip/journal/jcp/121/13/10.1063/1.1786580",
   doi = "http://dx.doi.org/10.1063/1.1786580"
}

@article{Bubin_BeH_noBO,
   author = "Bubin, Sergiy and Adamowicz, Ludwik",
   title = "Calculations of the ground states of BeH and BeH+ without the Born-Oppenheimer approximation",
   journal = "J. Chem. Phys.",
   year = "2007",
   volume = "126",
   number = "21",
   eid = 214305,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/126/21/10.1063/1.2736699",
   doi = "10.1063/1.2736699"
}
@article{Bubin_BH_noBO,
   author = "Bubin, Sergiy and Stanke, Monika and Adamowicz, Ludwik",
   title = "Non-Born–Oppenheimer calculations of the BH molecule",
   journal = "J. Chem. Phys.",
   year = "2009",
   volume = "131",
   number = "4",
   eid = 044128,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/131/4/10.1063/1.3195061",
   doi = "10.1063/1.3195061"
}

@article{Wang_Li,
  title = {Variational upper bounds for low-lying states of lithium},
  author = {Wang, L. M. and Yan, Z.-C. and Qiao, H. X. and Drake, G. W. F.},
  journal = {Phys. Rev. A},
  volume = {83},
  issue = {3},
  pages = {034503},
  numpages = {4},
  year = {2011},
  month = {Mar},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevA.83.034503},
  url = {http://link.aps.org/doi/10.1103/PhysRevA.83.034503}
}

@article{Cencek_LiH,
title = "Benchmark calculations for He2+ and LiH molecules using explicitly correlated Gaussian functions ",
journal = "Chem. Phys. Lett.",
volume = "320",
number = "5–6",
pages = "549 - 552",
year = "2000",
note = "",
issn = "0009-2614",
doi = "10.1016/S0009-2614(00)00303-1",
url = "http://www.sciencedirect.com/science/article/pii/S0009261400003031",
author = "Wojciech Cencek and Jacek Rychlewski"
}

@article{Adamowicz_LiH,
   author = "Tung, Wei-Cheng and Pavanello, Michele and Adamowicz, Ludwik",
   title = "Very accurate potential energy curve of the LiH molecule",
   journal = "J. Chem. Phys.",
   year = "2011",
   volume = "134",
   number = "6",
   eid = 064117,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/134/6/10.1063/1.3554211",
   doi = "10.1063/1.3554211"
}

@article{Koput_BeH,
   author = "Koput, Jacek",
   title = "The ab initio ground-state potential energy function of beryllium monohydride, BeH",
   journal = "J. Chem. Phys.",
   year = "2011",
   volume = "135",
   number = "24",
   eid = 244308,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/135/24/10.1063/1.3671610",
   doi = "10.1063/1.3671610"
}

@article{Miliordos_BH,
   author = "Miliordos, Evangelos and Mavridis, Aristides",
   title = "Ab initio investigation of the electronic structure and bonding of BH, BH−, and HBBH molecules",
   journal = "J. Chem. Phys.",
   year = "2008",
   volume = "128",
   number = "14",
   eid = 144308,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/128/14/10.1063/1.2902284",
   doi = "10.1063/1.2902284"
}

% Quantum Chemistry
@article{Sharon_NEO,
   author = "Webb, Simon P. and Iordanov, Tzvetelin and Hammes-Schiffer, Sharon",
   title = "Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations",
   journal = "J. Chem. Phys.",
   year = "2002",
   volume = "117",
   number = "9",
   pages = "4106-4118",
   url = "http://scitation.aip.org/content/aip/journal/jcp/117/9/10.1063/1.1494980",
   doi = "10.1063/1.1494980"
}

@article{Sharon_NEOX,
author = {Swalina, Chet and Pak, Michael V. and Chakraborty, Arindam and Hammes-Schiffer, Sharon},
title = {Explicit Dynamical Electron−Proton Correlation in the Nuclear−Electronic Orbital Framework},
journal = {J. Phys. Chem. A},
volume = {110},
number = {33},
pages = {9983-9987},
year = {2006},
doi = {10.1021/jp0634297},
note ={PMID: 16913669},

url = { 10.1021/jp0634297},

}

@article{Sharon_NEOX1,
   author = "Chakraborty, Arindam and Pak, Michael V. and Hammes-Schiffer, Sharon",
   title = "Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions",
   journal = "J. Chem. Phys.",
   year = "2008",
   volume = "129",
   number = "1",
   eid = 014101,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/129/1/10.1063/1.2943144",
   doi = "10.1063/1.2943144"
}

@article{Sharon_NEOX2,
   author = "Sirjoosingh, Andrew and Pak, Michael V. and Swalina, Chet and Hammes-Schiffer, Sharon",
   title = "Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Theoretical formulation",
   journal = "J. Chem. Phys.",
   year = "2013",
   volume = "139",
   number = "3",
   eid = 034102,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/139/3/10.1063/1.4812257",
   doi = "10.1063/1.4812257"
}

@article{BSE,
author = {Schuchardt, Karen L. and Didier, Brett T. and Elsethagen, Todd and Sun, Lisong and Gurumoorthi, Vidhya and Chase, Jared and Li, Jun and Windus, Theresa L.},
title = {Basis Set Exchange:  A Community Database for Computational Sciences},
journal = {Journal of Chemical Information and Modeling},
volume = {47},
number = {3},
pages = {1045-1052},
year = {2007},
doi = {10.1021/ci600510j},
    note ={PMID: 17428029},
url = { 10.1021/ci600510j},
eprint = { 10.1021/ci600510j}
}

@article{BSE1,
Author = {Feller, D},
Title = {{The role of databases in support of computational chemistry calculations}},
Journal = {{J. Comput. Chem.}},
Year = {{1996}},
Volume = {{17}},
Number = {{13}},
Pages = {{1571-1586}},
Month = {{OCT}},
doi = {{10.1002/jcc.9}},
ISSN = {{0192-8651}},
Unique-ID = {{ISI:A1996VH59400009}},
}

@article{Chaban_MCSCF,
year={1997},
issn={1432-881X},
journal={Theor. Chem. Acc.},
volume={97},
number={1-4},
doi={10.1007/s002140050241},
title={Approximate second order method for orbital optimization of SCF and MCSCF wavefunctions},
url={http://dx.doi.org/10.1007/s002140050241},
publisher={Springer-Verlag},
keywords={Key words: Optimization of orbitals; Open shell SCF; GVB; MCSCF},
author={Chaban, Galina and Schmidt, Michael W. and Gordon, Mark S.},
pages={88-95},
language={English}
}

@article{Mitroy_ECG,
  title = {Theory and application of explicitly correlated Gaussians},
  author = {Mitroy, Jim and Bubin, Sergiy and Horiuchi, Wataru and Suzuki, Yasuyuki and Adamowicz, Ludwik and Cencek, Wojciech and Szalewicz, Krzysztof and Komasa, Jacek and Blume, D. and Varga, K\'alm\'an},
  journal = {Rev. Mod. Phys.},
  volume = {85},
  issue = {2},
  pages = {693--749},
  numpages = {57},
  year = {2013},
  month = {May},
  publisher = {American Physical Society},
  doi = {10.1103/RevModPhys.85.693},
  url = {http://link.aps.org/doi/10.1103/RevModPhys.85.693}
}

@article{Feller_Corrections,
   author = "Feller, David and Peterson, Kirk A. and Dixon, David A.",
   title = "A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures",
   journal = "J. Chem. Phys.",
   year = "2008",
   volume = "129",
   number = "20",
   eid = 204105,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/129/20/10.1063/1.3008061",
   doi = "10.1063/1.3008061"
}

@article{Feller_Error,
   author = "Feller, David and Peterson, Kirk A. and Crawford, T. Daniel",
   title = "Sources of error in electronic structure calculations on small chemical systems",
   journal = "J. Chem. Phys.",
   year = "2006",
   volume = "124",
   number = "5",
   eid = 054107,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/124/5/10.1063/1.2137323",
   doi = "10.1063/1.2137323"
}

@article{Adamowicz_ECG,
  title = {Improved Nonadiabatic Ground-State Energy Upper Bound for Dihydrogen},
  author = {Kinghorn, Donald and Adamowicz, Ludwik},
  journal = {Phys. Rev. Lett.},
  volume = {83},
  issue = {13},
  pages = {2541--2543},
  numpages = {3},
  year = {1999},
  month = {Sep},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevLett.83.2541},
  url = {http://link.aps.org/doi/10.1103/PhysRevLett.83.2541}
}

@article{Clay_Bench,
   author = "Clay, Raymond C. and Morales, Miguel A.",
   title = "Influence of single particle orbital sets and configuration selection on multideterminant wavefunctions in quantum Monte Carlo",
   journal = "J. Chem. Phys.",
   year = "2015",
   volume = "142",
   number = "23",
   eid = 234103,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/142/23/10.1063/1.4921984",
   doi = "10.1063/1.4921984"
}

%  Review
@article{Cederbaum_Review,
author = {Worth, Graham A. and Cederbaum, Lorenz S.},
title = {BEYOND BORN-OPPENHEIMER: Molecular Dynamics Through a Conical Intersection},
journal = {Annu. Rev. Phys. Chem.},
volume = {55},
number = {1},
pages = {127-158},
year = {2004},
doi = {10.1146/annurev.physchem.55.091602.094335},
url = { 10.1146/annurev.physchem.55.091602.094335},
}

@article{McMahon_Review,
  title = {The properties of hydrogen and helium under extreme conditions},
  author = {McMahon, Jeffrey and Morales, Miguel and Pierleoni, Carlo and Ceperley, David},
  journal = {Rev. Mod. Phys.},
  volume = {84},
  issue = {4},
  pages = {1607--1653},
  numpages = {47},
  year = {2012},
  month = {Nov},
  publisher = {American Physical Society},
  doi = {10.1103/RevModPhys.84.1607},
  url = {http://link.aps.org/doi/10.1103/RevModPhys.84.1607}
}

@article{QMC_Review,
  title = {Quantum Monte Carlo simulations of solids},
  author = {Foulkes, W. M. C. and Mitas, L. and Needs, R. J. and Rajagopal, G.},
  journal = {Rev. Mod. Phys.},
  volume = {73},
  issue = {1},
  pages = {33--83},
  numpages = {0},
  year = {2001},
  month = {Jan},
  publisher = {American Physical Society},
  doi = {10.1103/RevModPhys.73.33},
  url = {http://link.aps.org/doi/10.1103/RevModPhys.73.33}
}

@Article{Morales_Review,
AUTHOR = {Morales, Miguel A. and Clay, Raymond and Pierleoni, Carlo and Ceperley, David M.},
TITLE = {First Principles Methods: A Perspective from Quantum Monte Carlo},
JOURNAL = {Entropy},
VOLUME = {16},
YEAR = {2013},
NUMBER = {1},
PAGES = {287},
url = {http://www.mdpi.com/1099-4300/16/1/287},
ISSN = {1099-4300},
doi = {10.3390/e16010287}
}

% Software Packages
@article {GAMESS,
author = {Schmidt, Michael W. and Baldridge, Kim K. and Boatz, Jerry A. and Elbert, Steven T. and Gordon, Mark S. and Jensen, Jan H. and Koseki, Shiro and Matsunaga, Nikita and Nguyen, Kiet A. and Su, Shujun and Windus, Theresa L. and Dupuis, Michel and Montgomery, John A.},
title = {General atomic and molecular electronic structure system},
journal = {J. Comput. Chem.},
volume = {14},
number = {11},
publisher = {John Wiley & Sons, Inc.},
issn = {1096-987X},
url = {10.1002/jcc.540141112},
doi = {10.1002/jcc.540141112},
pages = {1347--1363},
year = {1993},
}
@article{QMCPACK_Esler,
author={Esler, K.P. and Jeongnim Kim and Ceperley, D.M. and Shulenburger, L.},
journal={Comput. Sci. Eng.},
title={Accelerating Quantum Monte Carlo Simulations of Real Materials on GPU Clusters},
year={2012},
month={Jan},
volume={14},
number={1},
pages={40-51},
doi={10.1109/MCSE.2010.122},
ISSN={1521-9615},}
@Misc{QMCPACK,
title = {www.qmcpack.org},
author = {QMCPACK},
}
@article{QMCPACK_Kim,
  author={Jeongnim Kim and Kenneth P Esler and Jeremy McMinis and Miguel A Morales and Bryan K Clark and Luke Shulenburger and David M
Ceperley},
  title={Hybrid algorithms in quantum Monte Carlo},
  journal={J. Phys. Conf. Ser.},
  volume={402},
  number={1},
  pages={012008},
  url={http://stacks.iop.org/1742-6596/402/i=1/a=012008},
  year={2012}
}
@article{CCCBDB,
note = {NIST Computational Chemistry Comparison and Benchmark Database, NIST Standard Reference Database Number 101, Release 16a, August 2013. Editor: Russell D. Johnson III, http://cccbdb.nist.gov/}
}
@article{CFOUR,
  note = {CFOUR, a quantum chemical program package written by J.F. Stanton, J. Gauss, M.E. Harding, P.G. Szalay and others.}
}
@article{Harding,
author = {Harding, Michael E. and Metzroth, Thorsten and Gauss, J\"urgen and Auer, Alexander A.},
title = {Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives},
journal = {J. Chem. Theory Comput.},
volume = {4},
number = {1},
pages = {64-74},
year = {2008},
doi = {10.1021/ct700152c},
URL = { http://dx.doi.org/10.1021/ct700152c},
}

% Classics
@article {BO,
author = {Born, M. and Oppenheimer, R.},
title = {Zur Quantentheorie der Molekeln},
journal = {Annalen der Physik},
volume = {389},
number = {20},
publisher = {WILEY-VCH Verlag},
issn = {1521-3889},
url = {10.1002/andp.19273892002},
doi = {10.1002/andp.19273892002},
pages = {457--484},
year = {1927},
}

@Book{Pauncz_CSF,
author = {Pauncz, Ruben},
title = {Spin Eigenfunctions: Construction and Use},
publisher = {Plenum Press, New York},
year = {1979},
address = {227 West 17th Street, New York, N.Y. 10011}
}

@article{Purvis_CCSD,
   author = "Purvis, George D. and Bartlett, Rodney J.",
   title = "A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples",
   journal = "J. Chem. Phys.",
   year = "1982",
   volume = "76",
   number = "4",
   pages = "1910-1918",
   url = "http://scitation.aip.org/content/aip/journal/jcp/76/4/10.1063/1.443164",
   doi = "10.1063/1.443164"
}

@Book{HH,
author = {K. P. Huber and G. Herzberg},
title = {Molecular Spectra and Molecular Structure: Constants of Diatomic Molecules},
publisher = {Van Nostrand Reinhold, New York, 1979},
year = {1979}
}

@Book{Szabo,
author = {Attila Szabo and Neil S. Ostlund},
title = {Modern Quantum Chemistry},
publisher = {McGraw-Hill, Inc.},
year = {1989}
}

@article {Kato,
author = {Kato, Tosio},
title = {On the eigenfunctions of many-particle systems in quantum mechanics},
journal = {Commun. Pur. Appl. Math.},
volume = {10},
number = {2},
publisher = {Wiley Subscription Services, Inc., A Wiley Company},
issn = {1097-0312},
url = {10.1002/cpa.3160100201},
doi = {10.1002/cpa.3160100201},
pages = {151--177},
year = {1957},
}

@article{cederbaum1,
   author = "Cederbaum, Lorenz S.",
   title = "The exact molecular wavefunction as a product of an electronic and a nuclear wavefunction",
   journal = "J. Chem. Phys.",
   year = "2013",
   volume = "138",
   number = "22",
   eid = 224110,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/138/22/10.1063/1.4807115",
   doi = "10.1063/1.4807115"
}
@article{cederbaum12,
   author = "Cederbaum, Lorenz S.",
   title = "Erratum: “The exact molecular wavefunction as a product of an electronic and a nuclear wavefunction” [J. Chem. Phys.138, 224110 (2013)]",
   journal = "J. Chem. Phys.",
   year = "2014",
   volume = "141",
   number = "2",
   eid = 029902,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/141/2/10.1063/1.4890075",
  doi = "10.1063/1.4890075"
}

@article{gross2014,
  title = {Is the Molecular Berry Phase an Artifact of the Born-Oppenheimer Approximation?},
  author = {Min, Seung Kyu and Abedi, Ali and Kim, Kwang S. and Gross, E.K.U.},
  journal = {Phys. Rev. Lett.},
  volume = {113},
  issue = {26},
  pages = {263004},
  numpages = {5},
  year = {2014},
  month = {Dec},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevLett.113.263004},
  url = {http://link.aps.org/doi/10.1103/PhysRevLett.113.263004}
}
@article{boent,
year={2014},
issn={1434-6060},
journal={The European Physical Journal D},
eid={346},
volume={68},
number={11},
title={Entanglement and the Born-Oppenheimer approximation in an exactly solvable quantum many-body system},
url={10.1140/epjd/e2014-50349-2},
publisher={Springer Berlin Heidelberg},
keywords={Quantum Information},
author={Bouvrie, PeterA. and Majtey, AnaP. and Tichy, MalteC. and Dehesa, JesusS. and Plastino, AngelR.},
language={English}
}
@article{mitroy2013,
  title = {Theory and application of explicitly correlated Gaussians},
  author = {Mitroy, Jim and Bubin, Sergiy and Horiuchi, Wataru and Suzuki, Yasuyuki and Adamowicz, Ludwik and Cencek, Wojciech and Szalewicz, Krzysztof and Komasa, Jacek and Blume, D. and Varga, K\'alm\'an},
  journal = {Rev. Mod. Phys.},
  volume = {85},
  issue = {2},
  pages = {693--749},
  numpages = {0},
  year = {2013},
  month = {May},
  publisher = {American Physical Society},
  doi = {10.1103/RevModPhys.85.693},
  url = {http://link.aps.org/doi/10.1103/RevModPhys.85.693}
}
@article{roos,
year={1990},
issn={0040-5744},
journal={Theoretica chimica acta},
volume={77},
number={5},
doi={10.1007/BF01120130},
title={Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions},
url={http://dx.doi.org/10.1007/BF01120130},
publisher={Springer-Verlag},
keywords={Atomic natural orbitals; Basis sets; General contraction},
author={Widmark, Per-Olof and Malmqvist, Per-Åke and Roos, BjörnO.},
pages={291-306},
language={English}
}
@article{dunning,
   author = "Dunning, Thom H.",
   title = "Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen",
   journal = "J. Chem. Phys.",
   year = "1989",
   volume = "90",
   number = "2",
   pages = "1007-1023",
   url = "http://scitation.aip.org/content/aip/journal/jcp/90/2/10.1063/1.456153",
   doi = "10.1063/1.456153"
}
@Book{lester1,
author = {Hammond, Brian L. and Reynolds, Peter J. and Lester, William A.},
title = {Monte Carlo Methods in Ab Initio Quantum Chemistry},
publisher = {World Scientific},
year = 1994,
}

@article{cusp,
   author = "Ma, A. and Towler, M. D. and Drummond, N. D. and Needs, R. J.",
   title = "Scheme for adding electron–nucleus cusps to Gaussian orbitals",
   journal = "J. Chem. Phys.",
   year = "2005",
   volume = "122",
   number = "22",
   eid = 224322,
   pages = "-",
   url = "http://scitation.aip.org/content/aip/journal/jcp/122/22/10.1063/1.1940588",
   doi = "10.1063/1.1940588"
}
@article{grossman1,
   author = "Grossman, Jeffrey C.",
   title = "Benchmark quantum Monte Carlo calculations",
   journal = "J. Chem. Phys.",
   year = "2002",
   volume = "117",
   number = "4",
   pages = "1434-1440",
   url = "http://scitation.aip.org/content/aip/journal/jcp/117/4/10.1063/1.1487829",
   doi = "10.1063/1.1487829"
}

% footnote
@article{Klopper_DBOC,
note="The DBOC values for the atoms and ions provided by Prof. Wim Klopper are calculated at the CCSD/d-aug-cc-pwCVQZ level using CFOUR."
}
@article{Feller_DBOC,
note="The DBOC references provided by Prof. David Feller are calculated at the CCSD(T)/aug-cc-pVTZ level using CFOUR."
}
@article{switch,
note="We note that LiH ground state energies which we compare against are mislabeled in Ref.~\cite{Bubin_LiH-_noBO}, with $\text{LiH}^-$ and LiD being switched."
}

@misc{fell1,
  author = "Feller, David",
  howpublished = "personal communication"
}
@misc{klop1,
  author = "Klopper, Wim",
  howpublished = "personal communication"
}

@article{masses,
note="All calculations are performed for the most abundant isotope. In units of electron mass, the isotope masses for Li, Be, B, C, N, O, F are taken to be 12782.4327, 16419.2608, 20214.7648
6, 21862.7553, 25512.1484, 29141.0754, 34613.1200, respectively. The Li mass used for the LiH molecule is 12649.6690, which is slightly different from that used for the atomic Li simulations, but we do not expect this to affect our results within our statistical errors."
}

repository: Paul-St-Young/BO-paper

repo_name: Paul-St-Young/BO-paper

extension: bib


text:
file(REMOVE_RECURSE
  "CMakeFiles/REMATCH_3--Address_Resolution_Service--SQL_Slammer.dir/lib/ctype.c.o"
  "CMakeFiles/REMATCH_3--Address_Resolution_Service--SQL_Slammer.dir/lib/libc.c.o"
  "CMakeFiles/REMATCH_3--Address_Resolution_Service--SQL_Slammer.dir/lib/malloc.c.o"
  "CMakeFiles/REMATCH_3--Address_Resolution_Service--SQL_Slammer.dir/lib/math.c.o"
  "CMakeFiles/REMATCH_3--Address_Resolution_Service--SQL_Slammer.dir/lib/stdio.c.o"
  "CMakeFiles/REMATCH_3--Address_Resolution_Service--SQL_Slammer.dir/lib/stdlib.c.o"
  "CMakeFiles/REMATCH_3--Address_Resolution_Service--SQL_Slammer.dir/lib/string.c.o"
  "CMakeFiles/REMATCH_3--Address_Resolution_Service--SQL_Slammer.dir/src/linkedlist.c.o"
  "CMakeFiles/REMATCH_3--Address_Resolution_Service--SQL_Slammer.dir/src/query.c.o"
  "CMakeFiles/REMATCH_3--Address_Resolution_Service--SQL_Slammer.dir/src/response.c.o"
  "CMakeFiles/REMATCH_3--Address_Resolution_Service--SQL_Slammer.dir/src/service.c.o"
  "REMATCH_3--Address_Resolution_Service--SQL_Slammer.pdb"
  "REMATCH_3--Address_Resolution_Service--SQL_Slammer"
)

# Per-language clean rules from dependency scanning.
foreach(lang C)
  include(CMakeFiles/REMATCH_3--Address_Resolution_Service--SQL_Slammer.dir/cmake_clean_${lang}.cmake OPTIONAL)
endforeach()

repository: siddk/driller-lite

repo_name: siddk/driller-lite

extension: cmake


text:
package ext2fs

type InodeReader struct {
	Device  *Device
	Inode   *Inode
	CurrPos int64
	EOF     bool
}

func (r *InodeReader) Read(p []byte) (n int, err error) {
	n, err = r.Device.ReadData(r.Inode, p, r.CurrPos)
	if int64(n)+r.CurrPos > int64(r.Inode.Size) {
		n = int(int64(r.Inode.Size) - r.CurrPos)
	}
	r.CurrPos += int64(n)
	return
}

func NewInodeReader(device *Device, inode *Inode) (inodeReader *InodeReader) {
	inodeReader = new(InodeReader)
	inodeReader.Device = device
	inodeReader.Inode = inode
	return
}

extension: go


text:
import React from 'react';
import PropTypes from 'prop-types';
import { css, StyleSheet } from 'aphrodite';

const styles = StyleSheet.create({
  button: {
    backgroundColor: 'blue',
  },

  text: {
    color: 'red',
  },
});

export default function Button(props) {
  const { children, onPress } = props;

  return (
    <button
      type="button"
      onClick={onPress}
      className={css(styles.button, styles.text)}
    >
      <span className={css(styles.text)}>
        {children}
      </span>
    </button>
  );
}

Button.propTypes = {
  onPress: PropTypes.func,
  children: PropTypes.node,
};
Button.defaultProps = {
  onPress() {},
  children: null,
};

repository: airbnb/hypernova-aphrodite

repo_name: airbnb/hypernova-aphrodite

gha_license_id: MIT

gha_language: JavaScript

extension: jsx


text:
@inproceedings{kumar2018:aaai,
    author = "Kumar, T. K. Satish and Wang, Zhi and  Kumar, Anoop and Rogers, Craig Milo and Knoblock, Craig A.",
    title = "Load Scheduling of Simple Temporal Networks Under Dynamic Resource Pricing",
    booktitle = "Proceedings of the Thirty-Second AAAI Conference on Artificial Intelligence (AAAI-2018)",
    year = 2017
}

@inproceedings{kumar2018:isiam,
    author = "Kumar, T. K. Satish and Wang, Zhi and  Kumar, Anoop and Rogers, Craig Milo and Knoblock, Craig A.",
    title = "On the Linear Programming Duals of Temporal Reasoning Problems",
    booktitle = "Proceedings of the Fifteenth International Symposium on Artificial Intelligence and Mathematics (ISAIM-2018)",
    year = 2017
}

@inproceedings{kumar2017:ictai,
    author = "Kumar, T. K. Satish and Xu, Hong and Tang, Zheng and Kumar, Anoop and Rogers, Craig Milo and Knoblock, Craig A.",
    title = "A Distributed Logical Filter for Connected Row Convex Constraints",
    booktitle = "Proceedings of the 29th IEEE International Conference on Tools with Artificial Intelligence (ICTAI)",
    Urlpaper = {http://usc-isi-i2.github.io/papers/kumar17-ictai.pdf},
    UrlSlides= {http://usc-isi-i2.github.io/slides/kumar17-ictai.pdf},
    year = 2017
}


text:
@inproceedings{driscollComputationalEfficiencyFunctional1992,
 author = {Driscoll, TA and Dzielski, JE},
 booktitle = {Proceedings of the 31st IEEE Conference on Decision and Control},
 doi = {10.1109/cdc.1992.371773},
 pages = {143--144},
 publisher = {IEEE},
 title = {Computational Efficiency of a Functional Expansion Algorithm for Linear Quadratic Optimal Control},
 year = {1992}
}

repository: tobydriscoll/academic-kickstart

repo_name: tobydriscoll/academic-kickstart


text:
require recipes-fsl/images/fsl-image-machine-test.bb

# Useful if you want to develop against libs in the image
IMAGE_FEATURE += "dev-pkgs"


text:
# Copyright (C) 2008 Bug Labs, Inc
# Based on poky-image-sato.bb from Open Hand, Ltd.
#
# Image that defines BUG R1.4 production rootfs image.
#

PR = "r11"

DEPENDS = "task-bug"
IMAGE_FEATURES += "apps-console-core apps-x11-sato ${X11_IMAGE_FEATURES}"

inherit bug-image

# These are the base system recipes
IMAGE_INSTALL += "task-base-extended task-bug task-bug-java-osgi task-bug-audio task-bug-x11 task-bug-devlangs task-bug-network bash-sh task-bug-debug"

repository: overo/overo-oe-natty

repo_name: overo/overo-oe-natty

branch_name: HEAD


text:
@article{kourou2015machine,
  title={Machine learning applications in cancer prognosis and prediction},
  author={Kourou, Konstantina and Exarchos, Themis P and Exarchos, Konstantinos P and Karamouzis, Michalis V and Fotiadis, Dimitrios I},
  journal={Computational and structural biotechnology journal},
  volume={13},
  pages={8--17},
  year={2015},
  publisher={Elsevier}
}

@article{klaassen2019impact,
  title={The impact of psychiatric utilisation prior to cancer diagnosis on survival of solid organ malignancies},
  author={Klaassen, Zachary and Wallis, Christopher JD and Goldberg, Hanan and Chandrasekar, Thenappan and Sayyid, Rashid K and Williams, Stephen B and Moses, Kelvin A and Terris, Martha K and Nam, Robert K and Urbach, David and others},
  journal={British journal of cancer},
  pages={1},
  year={2019},
  publisher={Nature Publishing Group}
}

@article{rose2013mortality,
  title={Mortality risk score prediction in an elderly population using machine learning},
  author={Rose, Sherri},
  journal={American journal of epidemiology},
  volume={177},
  number={5},
  pages={443--452},
  year={2013},
  publisher={Oxford University Press}
}

@online{inca,
author = {Instituto nacional de câncer INCA},
title = {Estatísticas de câncer},
month = Novembro,
year = {2018},
url = {https://www.inca.gov.br/numeros-de-cancer}
}

@article{silva2015papel,
  title={O papel de marcadores tumorais no c{\^a}ncer de pulm{\~a}o: revis{\~a}o da literatura},
  author={Silva, Henrique Alves Pinto and Mainenti, Pietro and Laizo, Artur},
  journal={Rev. m{\'e}d. Minas Gerais},
  volume={25},
  number={4},
  year={2015}
}

@article{kim2012development,
  title={Development of novel breast cancer recurrence prediction model using support vector machine},
  author={Kim, Woojae and Kim, Ku Sang and Lee, Jeong Eon and Noh, Dong-Young and Kim, Sung-Won and Jung, Yong Sik and Park, Man Young and Park, Rae Woong},
  journal={Journal of breast cancer},
  volume={15},
  number={2},
  pages={230--238},
  year={2012}
}

@article{ahmad2013using,
  title={Using three machine learning techniques for predicting breast cancer recurrence},
  author={Ahmad, L Gh and Eshlaghy, AT and Poorebrahimi, A and Ebrahimi, M and Razavi, AR and others},
  journal={J Health Med Inform},
  volume={4},
  number={124},
  pages={3},
  year={2013}
}

@article{chen2014risk,
  title={Risk classification of cancer survival using ANN with gene expression data from multiple laboratories},
  author={Chen, Yen-Chen and Ke, Wan-Chi and Chiu, Hung-Wen},
  journal={Computers in biology and medicine},
  volume={48},
  pages={1--7},
  year={2014},
  publisher={Elsevier}
}

@article{park2013robust,
  title={Robust predictive model for evaluating breast cancer survivability},
  author={Park, Kanghee and Ali, Amna and Kim, Dokyoon and An, Yeolwoo and Kim, Minkoo and Shin, Hyunjung},
  journal={Engineering Applications of Artificial Intelligence},
  volume={26},
  number={9},
  pages={2194--2205},
  year={2013},
  publisher={Elsevier}
}

@inproceedings{xu2012gene,
  title={A gene signature for breast cancer prognosis using support vector machine},
  author={Xu, Xiaoyi and Zhang, Ya and Zou, Liang and Wang, Minghui and Li, Ao},
  booktitle={2012 5th International Conference on BioMedical Engineering and Informatics},
  pages={928--931},
  year={2012},
  organization={IEEE}
}

@article{gevaert2006predicting,
  title={Predicting the prognosis of breast cancer by integrating clinical and microarray data with Bayesian networks},
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repository: felipebarletta/Pesquisa

repo_name: felipebarletta/Pesquisa