mirror of https://github.com/QMCPACK/qmcpack.git
177 lines
6.0 KiB
BibTeX
177 lines
6.0 KiB
BibTeX
@article{PhysRevLett.90.136401,
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author = {Zhang, Shiwei and Krakauer, Henry},
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journal = {Phys. Rev. Lett.},
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title = {Quantum Monte Carlo Method using Phase-Free Random Walks with Slater Determinants},
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year = {2003},
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month = apr,
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pages = {136401},
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volume = {90},
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doi = {10.1103/PhysRevLett.90.136401},
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issue = {13},
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numpages = {4},
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publisher = {American Physical Society}
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}
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@article{PhysRevE.70.056702,
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author = {Purwanto, Wirawan and Zhang, Shiwei},
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journal = {Phys. Rev. E},
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title = {Quantum Monte Carlo method for the ground state of many-boson systems},
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year = {2004},
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month = nov,
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pages = {056702},
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volume = {70},
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doi = {10.1103/PhysRevE.70.056702},
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issue = {5},
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numpages = {18},
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publisher = {American Physical Society}
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}
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@article{AFQMC_review,
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title = {Auxiliary-Field Quantum Monte Carlo for Correlated Electron Systems},
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author = {Zhang, Shiwei},
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journal = {Modeling and Simulation},
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volume = {3},
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issue = {},
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pages = {},
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numpages = {},
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year = {2013},
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month = {},
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publisher = {},
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doi = {},
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url = {http://hdl.handle.net/2128/5389}
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}
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@article{BeebeCholesky1977,
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author = {Beebe, Nelson H. F. and Linderberg, Jan},
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title = {{Simplifications in the generation and transformation of two{-}electron
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integrals in molecular calculations}},
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journal = {Int. J. Quantum Chem.},
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volume = {12},
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number = {4},
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pages = {683},
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year = {1977},
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url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.560120408}
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}
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@article{KochCholesky2003,
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author = {Henrik Koch and Alfredo S{\'a}nchez de Mer{\'a}s and Thomas Bondo Pedersen},
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journal = {The Journal of Chemical Physics},
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title = {{Reduced scaling in electronic structure calculations using Cholesky decompositions}},
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year = {2003},
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number = {21},
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pages = {9481},
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volume = {118},
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url = {https://doi.org/10.1063/1.1578621}
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}
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@article{AquilanteMOLCAS2009,
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author = {Aquilante, Francesco and De Vico, Luca and Ferr{\'e}, Nicolas and Ghigo, Giovanni and Malmqvist, Per-{\aa}ke and Neogr{\'a}dy, Pavel and Pedersen, Thomas Bondo and Pito{\v n}{\'a}k ,Michal and Reiher, Markus and Roos, Bj{\"o}rn O. and Serrano{-}Andr{\'e}s, Luis and Urban, Miroslav and Veryazov, Valera and Lindh, Roland},
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title = {{MOLCAS 7: The Next Generation}},
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journal = {J. Comput. Chem.},
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year = {2009},
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volume = {31},
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number = {1},
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pages = {224},
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url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.21318}
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}
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@article{PurwantoCa2011,
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author = {Purwanto,Wirawan and Krakauer,Henry and Virgus,Yudistira and Zhang,Shiwei},
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title = {{Assessing weak hydrogen binding on Ca+ centers: An accurate many-body
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study with large basis sets}},
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journal = {The Journal of Chemical Physics},
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year = {2011},
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volume = {135},
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number = {16},
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pages = {164105},
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doi = {10.1063/1.3654002},
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url = {https://doi.org/10.1063/1.3654002}
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}
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@article{PurwantoDownfolding2013,
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author = {Purwanto, Wirawan and Zhang, Shiwei and Krakauer, Henry},
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title = {{Frozen-Orbital and Downfolding Calculations with Auxiliary-Field Quantum
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Monte Carlo}},
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journal = {Journal of Chemical Theory and Computation},
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year = {2013},
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volume = {9},
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number = {11},
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pages = {4825--4833},
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url = {https://doi.org/10.1021/ct4006486}
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}
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@article{HohensteinTHCI2012,
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author = {Edward G. Hohenstein and Robert M. Parrish and Todd J. Mart{\'\i}nez},
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title = {{Tensor hypercontraction density fitting. I. Quartic scaling second- and
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third-order M{\o}ller-Plesset perturbation theory}},
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journal = {The Journal of Chemical Physics},
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year = {2012},
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volume = {137},
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number = {4},
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pages = {044103},
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doi = {10.1063/1.4732310},
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url = {https://doi.org/10.1063/1.4732310}
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}
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@article{ParrishTHCII2012,
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author = {Robert M. Parrish and Edward G. Hohenstein and Todd J. Mart{\'\i}nez and
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C. David Sherrill},
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title = {{Tensor hypercontraction. II. Least-squares renormalization}},
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journal = {The Journal of Chemical Physics},
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year = {2012},
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volume = {137},
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number = {22},
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pages = {224106},
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doi = {10.1063/1.4768233},
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url = {https://doi.org/10.1063/1.4768233}
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}
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@article{HohensteinTHCIII2012,
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author = {Edward G. Hohenstein and Robert M. Parrish and C. David Sherrill and Todd
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J. Mart{\'\i}nez},
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title = {{Communication: Tensor hypercontraction. III. Least-squares tensor
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hypercontraction for the determination of correlated wavefunctions}},
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journal = {The Journal of Chemical Physics},
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year = {2012},
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volume = {137},
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number = {22},
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pages = {221101},
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doi = {10.1063/1.4768241},
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url = {https://doi.org/10.1063/1.4768241}
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}
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@article{MaloneISDF2019,
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author = {Malone, Fionn D. and Zhang, Shuai and Morales, Miguel A.},
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title = {{Overcoming the Memory Bottleneck in Auxiliary Field Quantum Monte Carlo
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Simulations with Interpolative Separable Density Fitting}},
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journal = {J. Chem. Theory. Comput.},
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year = {2019},
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volume = {15},
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number = {1},
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pages = {256},
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doi = {10.1021/acs.jctc.8b00944},
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url = {https://doi.org/10.1021/acs.jctc.8b00944}
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}
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@article{MottaKPoint2019,
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author = {Motta, Mario and Zhang, Shiwei and Chan, Garnet Kin-Lic},
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title = {{Hamiltonian symmetries in auxiliary-field quantum Monte Carlo calculations for electronic structure}},
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journal = {Physical Review B},
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year = {2019},
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volume = {100},
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pages = {045127},
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month = jul,
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doi = {10.1103/PhysRevB.100.045127},
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issue = {4},
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numpages = {12},
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publisher = {American Physical Society},
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url = {https://link.aps.org/doi/10.1103/PhysRevB.100.045127}
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}
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@article{MaloneGPU2020,
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title={Accelerating Auxiliary-Field Quantum Monte Carlo Simulations of Solids with Graphical Processing Unit},
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author={Malone, Fionn D and Zhang, Shuai and Morales, Miguel A},
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journal={arXiv preprint arXiv:2003.09468},
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year={2020}
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}
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