qmcpack/docs/bibs/afqmc.bib

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