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Author = {G. E. Scuseria and H. F. Schaefer III},
Date-Added = {2020-08-20 13:12:34 +0200},
Date-Modified = {2020-08-20 13:13:25 +0200},
Doi = {10.1063/1.455827},
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Pages = {3700-3703},
Title = {Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration-interaction (QCISD)?},
Volume = {90},
2020-08-21 14:59:45 +02:00
Year = {1989},
Bdsk-Url-1 = {https://doi.org/10.1063/1.455827}}
2020-08-20 13:25:20 +02:00
@article { Scuseria_1988 ,
2020-08-21 14:59:45 +02:00
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2020-08-20 13:25:20 +02:00
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2020-08-21 14:59:45 +02:00
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2020-08-20 13:25:20 +02:00
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Pages = {7382--7387},
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2020-08-21 14:59:45 +02:00
Year = {1988},
Bdsk-Url-1 = {https://doi.org/10.1063/1.455269}}
2020-08-20 13:25:20 +02:00
@article { Cizek_1969 ,
Author = {J. Cizek},
Date-Added = {2020-08-20 13:07:49 +0200},
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2020-08-21 14:59:45 +02:00
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2020-08-20 13:25:20 +02:00
@article { Purvis_1982 ,
2020-08-21 14:59:45 +02:00
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2020-08-20 13:25:20 +02:00
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2020-08-21 14:59:45 +02:00
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2020-08-20 13:25:20 +02:00
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2020-08-21 14:59:45 +02:00
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2020-08-20 13:25:20 +02:00
2020-08-20 10:58:34 +02:00
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Bdsk-Url-1 = {https://doi.org/10.1063/1.472933}}
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Title = {Density-functional exchange-energy approximation with correct asymptotic behavior},
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2020-08-20 13:25:20 +02:00
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2020-08-20 10:58:34 +02:00
@article { Becke_1993 ,
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Date-Added = {2020-08-20 10:23:42 +0200},
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Title = {Density‐ functional thermochemistry. III. The role of exact exchange},
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2020-08-20 13:25:20 +02:00
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2020-08-20 10:58:34 +02:00
@article { Tubman_2016 ,
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Date-Added = {2020-08-20 10:14:43 +0200},
Date-Modified = {2020-08-20 10:17:35 +0200},
Doi = {10.1063/1.4955109},
File = {/Users/loos/Zotero/storage/VDKR3CTF/Tubman16.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
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Number = {4},
Pages = {044112},
Title = {A Deterministic Alternative to the Full Configuration Interaction Quantum {{Monte Carlo}} Method},
Volume = {145},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4955109}}
@misc { Tubman_2018 ,
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Date-Added = {2020-08-20 10:14:43 +0200},
Date-Modified = {2020-08-20 10:14:43 +0200},
Eprint = {1808.02049},
Primaryclass = {cond-mat.str-el},
Title = {An efficient deterministic perturbation theory for selected configuration interaction methods},
Year = {2018}}
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Date-Added = {2020-08-20 10:14:43 +0200},
Date-Modified = {2020-08-20 10:14:43 +0200},
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Journal = {J. Chem. Theory Comput.},
Pages = {2139},
Title = {Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method},
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Year = {2020},
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@article { Thom_2010 ,
Author = {A. J. W. Thom},
Date-Added = {2020-08-20 10:12:09 +0200},
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Title = {Communication: Approaching Ex- act Quantum Chemistry by Cluster Analysis of Full Configuration Interaction Quan- tum Monte Carlo Wave Functions},
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Date-Added = {2020-08-20 10:09:57 +0200},
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Title = {Ab initio computations of molecular systems by the auxiliary‐ field quantum Monte Carlo method},
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Date-Added = {2020-08-20 10:09:03 +0200},
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@article { White_1992 ,
Author = {White, S. R.},
Date-Added = {2020-08-20 10:07:57 +0200},
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2020-08-19 14:10:23 +02:00
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Date-Added = {2020-08-19 14:04:10 +0200},
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2020-08-19 14:10:23 +02:00
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2020-08-19 15:00:08 +02:00
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2020-08-19 09:42:13 +02:00
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2020-08-19 09:42:13 +02:00
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2020-08-20 10:58:34 +02:00
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2020-08-18 15:16:02 +02:00
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2020-08-20 10:58:34 +02:00
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2020-08-18 15:16:02 +02:00
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2020-08-19 15:00:08 +02:00
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2020-08-18 10:07:54 +02:00
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Author = {W. Kohn and L. J. Sham},
Date-Added = {2020-08-16 13:59:30 +0200},
2020-08-17 09:32:47 +02:00
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Doi = {10.1103/PhysRev.140.A1133},
2020-08-16 14:33:06 +02:00
Journal = {Phys. Rev.},
Pages = {A1133},
Title = {Self-Consistent Equations Including Exchange and Correlation Effects},
Volume = {140},
2020-08-17 09:32:47 +02:00
Year = {1965},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.140.A1133}}
2020-08-16 14:33:06 +02:00
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Author = {P. Hohenberg and W. Kohn},
Date-Added = {2020-08-16 13:58:30 +0200},
2020-08-17 09:32:47 +02:00
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2020-08-16 14:33:06 +02:00
Journal = {Phys. Rev.},
Pages = {B 864},
Title = {Inhomogeneous Electron Gas},
Volume = {{136}},
2020-08-17 09:32:47 +02:00
Year = {1964},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.136.B864}}
2020-08-16 14:33:06 +02:00
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Author = {D. M. Ceperley},
Date-Added = {2020-08-16 13:50:51 +0200},
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Doi = {10.1007/BF01030009},
Journal = {J. Stat. Phys.},
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Title = {Fermion Nodes},
Volume = {63},
Year = {1991},
Bdsk-Url-1 = {https://doi.org/10.1007/BF01030009}}
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Author = {Reynolds, P. J. and Ceperley, D. M. and Alder, B. J. and Lester, W. A.},
Date-Added = {2020-08-16 13:50:42 +0200},
Date-Modified = {2020-08-16 13:50:42 +0200},
Doi = {10.1063/1.443766},
Issue = {11},
Journal = {J. Chem. Phys.},
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Pages = {5593--5603},
Publisher = {American Institute of Physics},
Title = {Fixed‐ node quantum Monte Carlo for molecules},
Volume = {77},
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Bdsk-Url-1 = {https://doi.org/10.1063/1.443766}}
@article { Kent_2020 ,
Author = {P. R. C. Kent and Abdulgani Annaberdiyev and Anouar Benali and M. Chandler Bennett and Edgar Josu{\'{e}} Landinez Borda and Peter Doak and Hongxia Hao and Kenneth D. Jordan and Jaron T. Krogel and Ilkka Kyl{\"{a}}np{\"{a}}{\"{a}} and Joonho Lee and Ye Luo and Fionn D. Malone and Cody A. Melton and Lubos Mitas and Miguel A. Morales and Eric Neuscamman and Fernando A. Reboredo and Brenda Rubenstein and Kayahan Saritas and Shiv Upadhyay and Guangming Wang and Shuai Zhang and Luning Zhao},
Date-Added = {2020-08-16 13:49:44 +0200},
Date-Modified = {2020-08-16 13:50:01 +0200},
Doi = {10.1063/5.0004860},
Journal = {J. Chem. Phys.},
Number = {17},
Pages = {174105},
Title = {{QMCPACK}: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo},
Volume = {152},
Year = {2020},
Bdsk-Url-1 = {https://doi.org/10.1063/5.0004860}}
@article { Kim_2018 ,
Annote = {QMCPACK is an open source quantum Monte Carlo package for ab initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater--Jastrow type trial wavefunctions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary-field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performance computing architectures, including multicore central processing unit and graphical processing unit systems. We detail the program's capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://qmcpack.org.},
Author = {Jeongnim Kim and Andrew D Baczewski and Todd D Beaudet and Anouar Benali and M Chandler Bennett and Mark A Berrill and Nick S Blunt and Edgar Josu{\'{e}} Landinez Borda and Michele Casula and David M Ceperley and Simone Chiesa and Bryan K Clark and Raymond C Clay and Kris T Delaney and Mark Dewing and Kenneth P Esler and Hongxia Hao and Olle Heinonen and Paul R C Kent and Jaron T Krogel and Ilkka Kyl{\"a}np{\"a}{\"a} and Ying Wai Li and M Graham Lopez and Ye Luo and Fionn D Malone and Richard M Martin and Amrita Mathuriya and Jeremy McMinis and Cody A Melton and Lubos Mitas and Miguel A Morales and Eric Neuscamman and William D Parker and Sergio D Pineda Flores and Nichols A Romero and Brenda M Rubenstein and Jacqueline A R Shea and Hyeondeok Shin and Luke Shulenburger and Andreas F Tillack and Joshua P Townsend and Norm M Tubman and Brett Van Der Goetz and Jordan E Vincent and D ChangMo Yang and Yubo Yang and Shuai Zhang and Luning Zhao},
Date-Added = {2020-08-16 13:48:38 +0200},
Date-Modified = {2020-08-16 13:48:38 +0200},
Doi = {10.1088/1361-648x/aab9c3},
Journal = {J. Phys.: Condens. Matter},
Number = {19},
Pages = {195901},
Title = {{QMCPACK}: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids},
Volume = {30},
Year = 2018,
Bdsk-Url-1 = {https://doi.org/10.1088%2F1361-648x%2Faab9c3},
Bdsk-Url-2 = {https://doi.org/10.1088/1361-648x/aab9c3}}
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Author = {R. J. Needs and M. D. Towler and N. D. Drummond and P. L{\'{o}}pez R{\'{\i}}os and J. R. Trail},
Date-Added = {2020-08-16 13:48:04 +0200},
2020-08-17 09:32:47 +02:00
Date-Modified = {2020-08-17 08:51:46 +0200},
2020-08-16 14:33:06 +02:00
Doi = {10.1063/1.5144288},
2020-08-17 09:32:47 +02:00
Journal = {J. Chem. Phys.},
2020-08-16 14:33:06 +02:00
Month = {apr},
Number = {15},
Pages = {154106},
Publisher = {{AIP} Publishing},
Title = {Variational and diffusion quantum Monte Carlo calculations with the {CASINO} code},
Volume = {152},
Year = {2020},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5144288}}
@article { Nakano_2020 ,
Author = {Nakano, Kousuke and Attaccalite, Claudio and Barborini, Matteo and Capriotti, Luca and Casula, Michele and Coccia, Emanuele and Dagrada, Mario and Genovese, Claudio and Luo, Ye and Mazzola, Guglielmo and Zen, Andrea and Sorella, Sandro},
Date-Added = {2020-08-16 13:47:39 +0200},
Date-Modified = {2020-08-16 13:47:39 +0200},
Eprint = {2002.07401},
Journal = {arXiv},
Month = {Feb},
Title = {{TurboRVB: a many-body toolkit for {$\lbrace$}{\ifmmode\backslash\else\textbackslash\fi}it ab initio{$\rbrace$} electronic simulations by quantum Monte Carlo}},
Url = {https://arxiv.org/abs/2002.07401},
Year = {2020},
Bdsk-Url-1 = {https://arxiv.org/abs/2002.07401}}
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Author = {Austin, Brian M. and Zubarev, Dmitry Yu. and Lester, William A.},
Date-Added = {2020-08-16 13:46:33 +0200},
Date-Modified = {2020-08-16 13:46:44 +0200},
Doi = {10.1021/cr2001564},
Journal = {Chem. Rev.},
Number = {1},
Pages = {263--288},
Title = {Quantum Monte Carlo and Related Approaches},
Volume = {112},
Year = {2012},
Bdsk-Url-1 = {http://dx.doi.org/10.1021/cr2001564}}
@article { Foulkes_2001 ,
Author = {Foulkes, W. M. C. and Mitas, L. and Needs, R. J. and Rajagopal, G.},
Date-Added = {2020-08-16 13:46:03 +0200},
Date-Modified = {2020-08-16 13:46:13 +0200},
Doi = {10.1103/RevModPhys.73.33},
Journal = {Rev. Mod. Phys.},
Pages = {33--83},
Title = {Quantum Monte Carlo simulations of solids},
Volume = {73},
Year = {2001},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/RevModPhys.73.33},
Bdsk-Url-2 = {https://doi.org/10.1103/RevModPhys.73.33}}
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Author = {Xu, E. and Uejima, M. and Ten-no, S. L.},
Date-Added = {2020-08-16 13:38:49 +0200},
2020-08-20 10:58:34 +02:00
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2020-08-16 14:33:06 +02:00
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Journal = {Phys. Rev. Lett.},
Pages = {113001},
2020-08-20 10:58:34 +02:00
Title = {Full Coupled-Cluster Reduction for Accurate Description of Strong Electron Correlation},
2020-08-16 14:33:06 +02:00
Volume = {121},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.121.113001}}
@article { Eriksen_2019 ,
Author = {J. J. Eriksen and J. Gauss},
Date-Added = {2020-08-16 13:35:02 +0200},
Date-Modified = {2020-08-16 13:35:51 +0200},
Doi = {10.1021/acs.jctc.9b00456},
Journal = {J. Chem. Theory Comput.},
Pages = {4873},
Title = {Many-Body Expanded Full Configuration Interaction. II. Strongly Correlated Regime},
Volume = {15},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00456}}
@article { Eriksen_2018 ,
Author = {J. J. Eriksen and J. Gauss},
Date-Added = {2020-08-16 13:34:04 +0200},
Date-Modified = {2020-08-16 13:36:21 +0200},
Doi = {10.1021/acs.jctc.8b00680},
Journal = {J. Chem. Theory Comput.},
Pages = {5180},
Title = {Many-Body Expanded Full Configuration Interaction. I. Weakly Correlated Regime},
Volume = {14},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00680}}
@misc { Eriksen_2020 ,
Archiveprefix = {arXiv},
Author = {Janus J. Eriksen and Tyler A. Anderson and J. Emiliano Deustua and Khaldoon Ghanem and Diptarka Hait and Mark R. Hoffmann and Seunghoon Lee and Daniel S. Levine and Ilias Magoulas and Jun Shen and Norman M. Tubman and K. Birgitta Whaley and Enhua Xu and Yuan Yao and Ning Zhang and Ali Alavi and Garnet Kin-Lic Chan and Martin Head-Gordon and Wenjian Liu and Piotr Piecuch and Sandeep Sharma and Seiichiro L. Ten-no and C. J. Umrigar and J{\"u}rgen Gauss},
Eprint = {2008.02678},
Primaryclass = {physics.chem-ph},
Title = {The Ground State Electronic Energy of Benzene},
Year = {2020}}
@article { Williams_2020 ,
Author = {Williams, Kiel T. and Yao, Yuan and Li, Jia and Chen, Li and Shi, Hao and Motta, Mario and Niu, Chunyao and Ray, Ushnish and Guo, Sheng and Anderson, Robert J. and Li, Junhao and Tran, Lan Nguyen and Yeh, Chia-Nan and Mussard, Bastien and Sharma, Sandeep and Bruneval, Fabien and van Schilfgaarde, Mark and Booth, George H. and Chan, Garnet Kin-Lic and Zhang, Shiwei and Gull, Emanuel and Zgid, Dominika and Millis, Andrew and Umrigar, Cyrus J. and Wagner, Lucas K.},
Collaboration = {Simons Collaboration on the Many-Electron Problem},
Date-Added = {2020-08-16 13:29:13 +0200},
Date-Modified = {2020-08-16 13:29:33 +0200},
Doi = {10.1103/PhysRevX.10.011041},
Journal = {Phys. Rev. X},
Pages = {011041},
Title = {Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians},
Volume = {10},
Year = {2020},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevX.10.011041},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevX.10.011041}}
@article { Motta_2017 ,
Author = {Motta, Mario and Ceperley, David M. and Chan, Garnet Kin-Lic and Gomez, John A. and Gull, Emanuel and Guo, Sheng and Jim\'enez-Hoyos, Carlos A. and Lan, Tran Nguyen and Li, Jia and Ma, Fengjie and Millis, Andrew J. and Prokof'ev, Nikolay V. and Ray, Ushnish and Scuseria, Gustavo E. and Sorella, Sandro and Stoudenmire, Edwin M. and Sun, Qiming and Tupitsyn, Igor S. and White, Steven R. and Zgid, Dominika and Zhang, Shiwei},
Collaboration = {Simons Collaboration on the Many-Electron Problem},
Date-Added = {2020-08-16 13:27:37 +0200},
Date-Modified = {2020-08-16 13:27:46 +0200},
Doi = {10.1103/PhysRevX.7.031059},
Issue = {3},
Journal = {Phys. Rev. X},
Month = {Sep},
Numpages = {28},
Pages = {031059},
Publisher = {American Physical Society},
Title = {Towards the Solution of the Many-Electron Problem in Real Materials: Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methods},
Url = {https://link.aps.org/doi/10.1103/PhysRevX.7.031059},
Volume = {7},
Year = {2017},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevX.7.031059},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevX.7.031059}}
2020-08-17 09:32:47 +02:00
@article { Scemama_2006 ,
2020-08-09 15:58:40 +02:00
Author = {Scemama, Anthony and Filippi, Claudia},
Date-Added = {2020-08-09 15:41:04 +0200},
2020-08-17 09:32:47 +02:00
Date-Modified = {2020-08-17 08:55:57 +0200},
2020-08-09 15:58:40 +02:00
Doi = {10.1103/physrevb.73.241101},
Journal = {Phys. Rev. B},
Month = {Jun},
Number = {24},
2020-08-17 09:32:47 +02:00
Pages = {241101},
2020-08-09 15:58:40 +02:00
Title = {Simple and efficient approach to the optimization of correlated wave functions},
Volume = {73},
Year = {2006},
Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.73.241101},
Bdsk-Url-2 = {http://dx.doi.org/10.1103/physrevb.73.241101}}
@article { Umrigar_2005 ,
Author = {Umrigar, C. J. and Filippi, Claudia},
Date-Added = {2020-08-09 15:37:17 +0200},
2020-08-17 09:32:47 +02:00
Date-Modified = {2020-08-17 08:55:30 +0200},
2020-08-09 15:58:40 +02:00
Doi = {10.1103/physrevlett.94.150201},
Journal = {Phys. Rev. Lett.},
Month = {Apr},
Number = {15},
2020-08-17 09:32:47 +02:00
Pages = {150201},
2020-08-09 15:58:40 +02:00
Title = {Energy and Variance Optimization of Many-Body Wave Functions},
Volume = {94},
Year = {2005},
Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevLett.94.150201},
Bdsk-Url-2 = {http://dx.doi.org/10.1103/physrevlett.94.150201}}
@article { Toulouse_2007 ,
Author = {Toulouse, Julien and Umrigar, C. J.},
Date-Added = {2020-08-09 15:36:54 +0200},
Date-Modified = {2020-08-09 15:36:54 +0200},
Doi = {10.1063/1.2437215},
Issn = {1089-7690},
Journal = {J. Chem. Phys.},
Month = {Feb},
Number = {8},
Pages = {084102},
Publisher = {AIP Publishing},
Title = {Optimization of quantum Monte Carlo wave functions by energy minimization},
Url = {http://dx.doi.org/10.1063/1.2437215},
Volume = {126},
Year = {2007},
Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2437215}}
@article { Toulouse_2008 ,
Author = {Toulouse, Julien and Umrigar, C. J.},
Date-Added = {2020-08-09 15:36:54 +0200},
Date-Modified = {2020-08-09 15:36:54 +0200},
Doi = {10.1063/1.2908237},
Issn = {1089-7690},
Journal = {J. Chem. Phys.},
Month = {May},
Number = {17},
Pages = {174101},
Publisher = {AIP Publishing},
Title = {Full optimization of Jastrow--Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules},
Url = {http://dx.doi.org/10.1063/1.2908237},
Volume = {128},
Year = {2008},
Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2908237}}
@article { Umrigar_2007 ,
Author = {Umrigar, C. J. and Toulouse, Julien and Filippi, Claudia and Sorella, S. and Hennig, R. G.},
Date-Added = {2020-08-09 15:36:54 +0200},
2020-08-17 09:32:47 +02:00
Date-Modified = {2020-08-17 08:55:19 +0200},
2020-08-09 15:58:40 +02:00
Doi = {10.1103/physrevlett.98.110201},
Journal = {Phys. Rev. Lett.},
Month = {Mar},
Number = {11},
2020-08-17 09:32:47 +02:00
Pages = {110201},
2020-08-09 15:58:40 +02:00
Title = {Alleviation of the Fermion-Sign Problem by Optimization of Many-Body Wave Functions},
Volume = {98},
Year = {2007},
Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevLett.98.110201},
Bdsk-Url-2 = {http://dx.doi.org/10.1103/physrevlett.98.110201}}
2020-08-08 08:34:15 +02:00
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Author = {Pulay, P{\'e}ter},
Date-Added = {2020-08-08 08:15:42 +0200},
Date-Modified = {2020-08-08 08:15:42 +0200},
Doi = {10.1016/0009-2614(80)80396-4},
Issn = {00092614},
Journal = {Chem. Phys. Lett.},
Language = {en},
Month = jul,
Number = {2},
Pages = {393--398},
Title = {Convergence Acceleration of Iterative Sequences. the Case of Scf Iteration},
Volume = {73},
Year = {1980},
Bdsk-Url-1 = {https://dx.doi.org/10.1016/0009-2614(80)80396-4}}
@article { Pulay_1982 ,
Author = {Pulay, P.},
Date-Added = {2020-08-08 08:15:42 +0200},
Date-Modified = {2020-08-08 08:15:42 +0200},
Doi = {10.1002/jcc.540030413},
Issn = {0192-8651, 1096-987X},
Journal = {J. Comput. Chem.},
Language = {en},
Number = {4},
Pages = {556--560},
Title = {{{ImprovedSCF}} Convergence Acceleration},
Volume = {3},
Year = {1982},
Bdsk-Url-1 = {https://dx.doi.org/10.1002/jcc.540030413}}
2020-08-07 20:17:38 +02:00
@article { Assaraf_2000 ,
Author = {Assaraf, Roland and Caffarel, Michel and Khelif, Anatole},
Date-Added = {2020-08-07 20:12:45 +0200},
Date-Modified = {2020-08-07 20:12:45 +0200},
Doi = {10.1103/physreve.61.4566},
Issn = {1095-3787},
Journal = {Phys. Rev. E},
Month = {Apr},
Number = {4},
Pages = {4566--4575},
Publisher = {American Physical Society (APS)},
Title = {Diffusion Monte Carlo methods with a fixed number of walkers},
Url = {http://dx.doi.org/10.1103/PhysRevE.61.4566},
Volume = {61},
Year = {2000},
Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevE.61.4566},
Bdsk-Url-2 = {http://dx.doi.org/10.1103/physreve.61.4566}}
@article { Assaraf_2007 ,
Author = {Assaraf, Roland and Caffarel, Michel and Scemama, Anthony},
Date-Added = {2020-08-07 20:12:45 +0200},
Date-Modified = {2020-08-07 20:12:45 +0200},
Doi = {10.1103/physreve.75.035701},
Issn = {1550-2376},
Journal = {Phys. Rev. E},
Month = {Mar},
Number = {3},
Publisher = {American Physical Society (APS)},
Title = {Improved Monte Carlo estimators for the one-body density},
Url = {http://dx.doi.org/10.1103/PhysRevE.75.035701},
Volume = {75},
Year = {2007},
Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevE.75.035701},
Bdsk-Url-2 = {http://dx.doi.org/10.1103/physreve.75.035701}}
2020-08-07 14:35:32 +02:00
@article { Burkatzki_2007 ,
Author = {Burkatzki, M. and Filippi, C. and Dolg, M.},
Date-Added = {2020-08-07 13:35:15 +0200},
Date-Modified = {2020-08-07 13:35:15 +0200},
Doi = {10.1063/1.2741534},
Issn = {1089-7690},
Journal = {J. Chem. Phys.},
Month = {Jun},
Number = {23},
Pages = {234105},
Publisher = {AIP Publishing},
Title = {Energy-consistent pseudopotentials for quantum Monte Carlo calculations},
Url = {http://dx.doi.org/10.1063/1.2741534},
Volume = {126},
Year = {2007},
Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2741534}}
@article { Burkatzki_2008 ,
Author = {Burkatzki, M. and Filippi, Claudia and Dolg, M.},
Date-Added = {2020-08-07 13:35:15 +0200},
Date-Modified = {2020-08-07 13:35:15 +0200},
Doi = {10.1063/1.2987872},
Issn = {1089-7690},
Journal = {J. Chem. Phys.},
Month = {Oct},
Number = {16},
Pages = {164115},
Publisher = {AIP Publishing},
Title = {Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations},
Url = {http://dx.doi.org/10.1063/1.2987872},
Volume = {129},
Year = {2008},
Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2987872}}
2020-08-03 22:17:18 +02:00
@article { Schrodinger_1926 ,
Author = {Schr\"odinger, Erwin},
Date-Added = {2020-08-03 21:29:29 +0200},
Date-Modified = {2020-08-03 21:30:36 +0200},
Doi = {10.1103/PhysRev.28.1049},
Journal = {Phys. Rev.},
Pages = {1049--1070},
Title = {An Undulatory Theory of the Mechanics of Atoms and Molecules},
Volume = {28},
2020-08-07 14:35:32 +02:00
Year = {1926},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.28.1049}}
2020-08-03 22:17:18 +02:00
2020-08-02 18:19:44 +02:00
@article { Evangelista_2014 ,
Author = {Evangelista, Francesco A.},
Date-Added = {2020-08-02 18:18:29 +0200},
Date-Modified = {2020-08-02 18:18:29 +0200},
Doi = {10.1063/1.4869192},
Issn = {1089-7690},
Journal = {J. Chem. Phys.},
Month = {Mar},
Number = {12},
Pages = {124114},
Publisher = {AIP Publishing},
Title = {Adaptive multiconfigurational wave functions},
Url = {http://dx.doi.org/10.1063/1.4869192},
Volume = {140},
Year = {2014},
Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4869192}}
@article { Schriber_2016 ,
Author = {Schriber, Jeffrey B. and Evangelista, Francesco A.},
Date-Added = {2020-08-02 18:18:29 +0200},
Date-Modified = {2020-08-02 18:18:29 +0200},
Doi = {10.1063/1.4948308},
File = {Full Text PDF:/home/scemama/Dropbox/Zotero/storage/XR99ZTDH/Schriber and Evangelista - 2016 - Communication An adaptive configuration interacti.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/6KITP3BL/1.html:text/html},
Issn = {0021-9606},
Journal = {J. Chem. Phys.},
Month = apr,
Number = {16},
Pages = {161106},
Shorttitle = {Communication},
Title = {Communication: {An} adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy},
Url = {http://aip.scitation.org/doi/abs/10.1063/1.4948308},
Urldate = {2017-11-17},
Volume = {144},
Year = {2016},
Bdsk-Url-1 = {http://aip.scitation.org/doi/abs/10.1063/1.4948308},
Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4948308}}
@article { Schriber_2017 ,
Author = {Schriber, Jeffrey B. and Evangelista, Francesco A.},
Date-Added = {2020-08-02 18:18:29 +0200},
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Month = {Feb},
Number = {8},
Pages = {084107},
Publisher = {American Institute of Physics},
Title = {{Canonical transcorrelated theory with projected Slater-type geminals}},
Volume = {136},
Year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1063/1.3688225}}
2020-08-17 10:32:17 +02:00
@article { CohLuoGutDowTewAla-JCP-19 ,
2020-08-17 13:21:07 +02:00
Author = {Cohen, Aron J. and Luo, Hongjun and Guther, Kai and Dobrautz, Werner and Tew, David P. and Alavi, Ali},
Doi = {10.1063/1.5116024},
Issn = {0021-9606},
Journal = {J. Chem. Phys.},
Month = {Aug},
Number = {6},
Pages = {061101},
Publisher = {American Institute of Physics},
Title = {{Similarity transformation of the electronic Schr{\"o}dinger equation via Jastrow factorization}},
Volume = {151},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5116024}}
2020-08-19 12:10:46 +02:00
@misc { nist ,
2020-08-19 14:10:23 +02:00
Author = {Johnson, RD},
Copyright = {License Information for NIST data},
Doi = {10.18434/T47C7Z},
Note = {\url{http://cccbdb.nist.gov/}},
Publisher = {National Institute of Standards and Technology},
Title = {Computational Chemistry Comparison and Benchmark Database, NIST Standard Reference Database 101},
Url = {http://cccbdb.nist.gov/},
Year = {2002},
Bdsk-Url-1 = {http://cccbdb.nist.gov/},
Bdsk-Url-2 = {https://doi.org/10.18434/T47C7Z}}