Author = {Caffarel, Michel and Giner, Emmanuel and Scemama, Anthony and Ram{\'\i}rez-Sol{\'\i}s, Alejandro},
Date-Added = {2020-08-18 22:14:08 +0200},
Date-Modified = {2020-08-18 22:14:08 +0200},
Doi = {10.1021/ct5004252},
Issn = {1549-9626},
Journal = {J. Chem. Theory Comput.},
Month = {Dec},
Number = {12},
Pages = {5286--5296},
Publisher = {American Chemical Society (ACS)},
Title = {Spin Density Distribution in Open-Shell Transition Metal Systems: A Comparative Post-Hartree--Fock, Density Functional Theory, and Quantum Monte Carlo Study of the CuCl$_2$ Molecule},
Title = {Communication: Approaching Ex- act Quantum Chemistry by Cluster Analysis of Full Configuration Interaction Quan- tum Monte Carlo Wave Functions},
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{Lee_2020,
Archiveprefix = {arXiv},
Author = {Joonho Lee and Fionn D. Malone and David R. Reichman},
Eprint = {2008.04736},
Primaryclass = {physics.chem-ph},
Title = {Note: The performance of phaseless auxiliary-field quantum Monte Carlo on 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 others},
Author = {Qin, Mingpu and Chung, Chia-Min and Shi, Hao and Vitali, Ettore and Hubig, Claudius and Schollw{\"o}ck, Ulrich and White, Steven R and Zhang, Shiwei and others},
Date-Added = {2020-08-18 20:57:54 +0200},
Date-Modified = {2020-08-18 20:58:04 +0200},
Journal = {Phys. Rev. X},
Number = {3},
Pages = {031016},
Publisher = {APS},
Title = {Absence of superconductivity in the pure two-dimensional Hubbard model},
Volume = {10},
Year = {2020}}
@article{Motta_2019,
Author = {Motta, Mario and Genovese, Claudio and Ma, Fengjie and Cui, Zhi-Hao and Sawaya, Randy and Chan, Garnet Kin and Chepiga, Natalia and Helms, Phillip and Jimenez-Hoyos, Carlos and Millis, Andrew J and others},
Date-Added = {2020-08-18 20:57:24 +0200},
Date-Modified = {2020-08-18 20:57:31 +0200},
Journal = {arXiv:1911.01618},
Title = {Ground-state properties of the hydrogen chain: insulator-to-metal transition, dimerization, and magnetic phases},
Year = {2019}}
@article{Zheng_2017,
Author = {Zheng, Bo-Xiao and Chung, Chia-Min and Corboz, Philippe and Ehlers, Georg and Qin, Ming-Pu and Noack, Reinhard M and Shi, Hao and White, Steven R and Zhang, Shiwei and Chan, Garnet Kin-Lic},
Date-Added = {2020-08-18 20:56:54 +0200},
Date-Modified = {2020-08-18 20:57:24 +0200},
Journal = {Science},
Number = {6367},
Pages = {1155--1160},
Publisher = {American Association for the Advancement of Science},
Title = {Stripe order in the underdoped region of the two-dimensional Hubbard model},
Volume = {358},
Year = {2017}}
@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{\'e}nez-Hoyos, Carlos A and Lan, Tran Nguyen and Li, Jia and Ma, Fengjie and others},
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},
Author = {LeBlanc, J. P. F. and Antipov, Andrey E and Becca, Federico and Bulik, Ireneusz W and Chan, Garnet Kin-Lic and Chung, Chia-Min and Deng, Youjin and Ferrero, Michel and Henderson, Thomas M and Jim{\'e}nez-Hoyos, Carlos A and others},
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{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},
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},
Author = {Blunt, N. S. and Smart, Simon D. and Booth, George H. and Alavi, Ali},
Date-Added = {2020-08-02 17:35:58 +0200},
Date-Modified = {2020-08-02 17:35:58 +0200},
Doi = {10.1063/1.4932595},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Month = oct,
Number = {13},
Pages = {134117},
Title = {An Excited-State Approach within Full Configuration Interaction Quantum {{Monte Carlo}}},
Volume = {143},
Year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4932595}}
@article{Booth_2011,
Author = {Booth, George H. and Cleland, Deidre and Thom, Alex J. W. and Alavi, Ali},
Date-Added = {2020-08-02 17:35:58 +0200},
Date-Modified = {2020-08-02 17:35:58 +0200},
Doi = {10.1063/1.3624383},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Month = aug,
Number = {8},
Pages = {084104},
Shorttitle = {Breaking the Carbon Dimer},
Title = {Breaking the Carbon Dimer: {{The}} Challenges of Multiple Bond Dissociation with Full Configuration Interaction Quantum {{Monte Carlo}} Methods},
Volume = {135},
Year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1063/1.3624383}}
@article{Sharma_2017,
Author = {Sharma, Sandeep and Holmes, Adam A. and Jeanmairet, Guillaume and Alavi, Ali and Umrigar, C. J.},
Date-Added = {2020-08-02 17:35:54 +0200},
Date-Modified = {2020-08-02 17:35:54 +0200},
Doi = {10.1021/acs.jctc.6b01028},
Issn = {1549-9626},
Journal = {J. Chem. Theory Comput.},
Month = {Mar},
Number = {4},
Pages = {1595--1604},
Publisher = {American Chemical Society (ACS)},
Title = {Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory},
Author = {Garniron, Yann and Applencourt, Thomas and Gasperich, Kevin and Benali, Anouar and Fert{\'e}, Anthony and Paquier, Julien and Pradines, Barth{\'e}l{\'e}my and Assaraf, Roland and Reinhardt, Peter and Toulouse, Julien and Barbaresco, Pierrette and Renon, Nicolas and David, Gr{\'e}goire and Malrieu, Jean-Paul and V{\'e}ril, Micka{\"e}l and Caffarel, Michel and Loos, Pierre-Fran{\c c}ois and Giner, Emmanuel and Scemama, Anthony},
Doi = {10.1021/acs.jctc.9b00176},
Issn = {1549-9618},
Journal = {J. Chem. Theory Comput.},
Month = {Jun},
Number = {6},
Pages = {3591--3609},
Publisher = {American Chemical Society},
Title = {{Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs}},
Author = {Scemama, Anthony and Benali, Anouar and Jacquemin, Denis and Caffarel, Michel and Loos, Pierre-Fran{\c c}ois},
Doi = {10.1063/1.5041327},
Issn = {0021-9606},
Journal = {J. Chem. Phys.},
Month = {Jul},
Number = {3},
Pages = {034108},
Publisher = {American Institute of Physics},
Title = {{Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes}},
Volume = {149},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5041327}}
@article{Giner_2015,
Author = {Giner, Emmanuel and Scemama, Anthony and Caffarel, Michel},
Doi = {10.1063/1.4905528},
Issn = {0021-9606},
Journal = {J. Chem. Phys.},
Month = {Jan},
Number = {4},
Pages = {044115},
Publisher = {American Institute of Physics},
Title = {{Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions}},
Volume = {142},
Year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4905528}}
@article{Huron_1973,
Author = {Huron, B. and Malrieu, J. P. and Rancurel, P.},
Doi = {10.1063/1.1679199},
Issn = {0021-9606},
Journal = {J. Chem. Phys.},
Month = {Jun},
Number = {12},
Pages = {5745--5759},
Publisher = {American Institute of Physics},
Title = {{Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth{-}order wavefunctions}},
Volume = {58},
Year = {1973},
Bdsk-Url-1 = {https://doi.org/10.1063/1.1679199}}
@article{Holmes_2016,
Author = {Holmes, Adam A. and Changlani, Hitesh J. and Umrigar, C. J.},
Doi = {10.1021/acs.jctc.5b01170},
Issn = {1549-9618},
Journal = {J. Chem. Theory Comput.},
Month = {Apr},
Number = {4},
Pages = {1561--1571},
Publisher = {American Chemical Society},
Title = {{Efficient Heat-Bath Sampling in Fock Space}},