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%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/
%% Created for Pierre-Francois Loos at 2022-09-30 16:13:18 +0200
%% Saved with string encoding Unicode (UTF-8)
@misc{note,
note = {As $\tau \rightarrow 0$ and $N \rightarrow \infty$ with $N\tau=t$, the operator $T^N$ converges to $e^{-t(H-E \Id)}$. We then have $G^E_{ij} \rightarrow \int_0^{\infty} dt \mel{i}{e^{-t(H-E \Id)}}{j}$, which is the Laplace transform of the time-dependent Green's function $\mel{i}{e^{-t(H-E \Id)}}{j}$.}}
@article{Willow_2012,
author = {Willow,Soohaeng Yoo and Kim,Kwang S. and Hirata,So},
date-modified = {2022-09-30 16:10:46 +0200},
doi = {10.1063/1.4768697},
journal = {J. Chem. Phys.},
number = {20},
pages = {204122},
title = {Stochastic evaluation of second-order many-body perturbation energies},
volume = {137},
year = {2012},
bdsk-url-1 = {https://doi.org/10.1063/1.4768697}}
@article{Petruzielo_2012,
author = {Petruzielo, F. R. and Holmes, A. A. and Changlani, Hitesh J. and Nightingale, M. P. and Umrigar, C. J.},
date-modified = {2022-09-30 16:12:05 +0200},
doi = {10.1103/PhysRevLett.109.230201},
issue = {23},
journal = {Phys. Rev. Lett.},
month = {Dec},
numpages = {5},
pages = {230201},
publisher = {American Physical Society},
title = {Semistochastic Projector Monte Carlo Method},
url = {https://link.aps.org/doi/10.1103/PhysRevLett.109.230201},
volume = {109},
year = {2012},
bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.109.230201},
bdsk-url-2 = {https://doi.org/10.1103/PhysRevLett.109.230201}}
@article{Caffarel_2019,
author = {Caffarel,Michel},
date-modified = {2022-09-30 16:11:35 +0200},
doi = {10.1063/1.5114703},
journal = {J. Chem. Phys.},
number = {6},
pages = {064101},
title = {Evaluating two-electron-repulsion integrals over arbitrary orbitals using zero variance Monte Carlo: Application to full configuration interaction calculations with Slater-type orbitals},
volume = {151},
year = {2019},
bdsk-url-1 = {https://doi.org/10.1063/1.5114703}}
@article{Zhang_2003,
author = {Zhang, Shiwei and Krakauer, Henry},
doi = {10.1103/PhysRevLett.90.136401},
issue = {13},
journal = {Phys. Rev. Lett.},
month = {Apr},
numpages = {4},
pages = {136401},
publisher = {American Physical Society},
title = {Quantum Monte Carlo Method using Phase-Free Random Walks with Slater Determinants},
url = {https://link.aps.org/doi/10.1103/PhysRevLett.90.136401},
volume = {90},
year = {2003},
bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.90.136401},
bdsk-url-2 = {https://doi.org/10.1103/PhysRevLett.90.136401}}
@article{Cleland_2010,
author = {Cleland,Deidre and Booth,George H. and Alavi,Ali},
date-modified = {2022-09-15 10:21:21 +0200},
doi = {10.1063/1.3302277},
journal = {J. Chem. Phys.},
number = {4},
pages = {041103},
title = {Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo},
volume = {132},
year = {2010},
bdsk-url-1 = {https://doi.org/10.1063/1.3302277}}
@article{Chan_2011,
abstract = { The density matrix renormalization group is a method that is useful for describing molecules that have strongly correlated electrons. Here we provide a pedagogical overview of the basic challenges of strong correlation, how the density matrix renormalization group works, a survey of its existing applications to molecular problems, and some thoughts on the future of the method. },
author = {Chan, Garnet Kin-Lic and Sharma, Sandeep},
date-modified = {2022-09-15 10:22:30 +0200},
doi = {10.1146/annurev-physchem-032210-103338},
journal = {Annu. Rev. Phys. Chem.},
number = {1},
pages = {465-481},
title = {The Density Matrix Renormalization Group in Quantum Chemistry},
volume = {62},
year = {2011},
bdsk-url-1 = {https://doi.org/10.1146/annurev-physchem-032210-103338}}
@article{White_1999,
author = {White,Steven R. and Martin,Richard L.},
date-modified = {2022-09-15 10:21:52 +0200},
doi = {10.1063/1.478295},
journal = {J. Chem. Phys.},
number = {9},
pages = {4127-4130},
title = {Ab initio quantum chemistry using the density matrix renormalization group},
volume = {110},
year = {1999},
bdsk-url-1 = {https://doi.org/10.1063/1.478295}}
@article{Booth_2009,
author = {Booth,George H. and Thom,Alex J. W. and Alavi,Ali},
date-modified = {2022-09-15 10:21:12 +0200},
doi = {10.1063/1.3193710},
journal = {J. Chem. Phys.},
number = {5},
pages = {054106},
title = {Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space},
volume = {131},
year = {2009},
bdsk-url-1 = {https://aip.scitation.org/doi/abs/10.1063/1.3193710},
bdsk-url-2 = {https://doi.org/10.1063/1.3193710}}
@article{Tubman_2020,
author = {Tubman, Norm M. and Freeman, C. Daniel and Levine, Daniel S. and Hait, Diptarka and Head-Gordon, Martin and Whaley, K. Birgitta},
date-modified = {2022-09-15 10:20:56 +0200},
doi = {10.1021/acs.jctc.8b00536},
journal = {J. Chem. Theory Comput.},
number = {4},
pages = {2139-2159},
title = {Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method},
volume = {16},
year = {2020},
bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.8b00536}}
@article{Schriber_2016,
author = {Schriber,Jeffrey B. and Evangelista,Francesco A.},
date-modified = {2022-09-15 10:20:28 +0200},
doi = {10.1063/1.4948308},
journal = {J. Chem. Phys.},
number = {16},
pages = {161106},
title = {Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy},
volume = {144},
year = {2016},
bdsk-url-1 = {https://doi.org/10.1063/1.4948308}}
@article{Holmes_2016,
author = {Holmes, Adam A. and Tubman, Norm M. and Umrigar, C. J.},
date-modified = {2022-09-15 10:20:10 +0200},
doi = {10.1021/acs.jctc.6b00407},
journal = {J. Chem. Theory Comput.},
number = {8},
pages = {3674-3680},
title = {Heat-Bath Configuration Interaction: An Efficient Selected Configuration Interaction Algorithm Inspired by Heat-Bath Sampling},
volume = {12},
year = {2016},
bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.6b00407}}
@article{Harrison_1991,
author = {Robert J. Harrison},
date-modified = {2022-09-15 10:18:39 +0200},
doi = {10.1063/1.460537},
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pages = {5021-5031},
title = {Approximating full configuration interaction with selected configuration interaction and perturbation theory},
volume = {94},
year = {1991},
bdsk-url-1 = {https://doi.org/10.1063/1.460537}}
@article{Gutzwiller_1963,
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issue = {5},
journal = {Phys. Rev. Lett.},
month = {Mar},
numpages = {0},
pages = {159--162},
publisher = {American Physical Society},
title = {Effect of Correlation on the Ferromagnetism of Transition Metals},
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volume = {10},
year = {1963},
bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.10.159},
bdsk-url-2 = {https://doi.org/10.1103/PhysRevLett.10.159}}
@techreport{Kalos_2000,
author = {M. H. Kalos},
institution = {University of North Texas Libraries, UNT Digital Library},
title = {Domain Green's Function Sampling in Diffusion Monte Carlo},
year = {2000}}
@phdthesis{Assaraf_PhD,
address = {Paris},
author = {R. Assaraf},
date-modified = {2022-09-15 09:18:33 +0200},
school = {Universit\'e d Pierre et Marie Curie},
title = {M\'ethodes Monte Carlo quantique. D\'eveloppements et applications \`a quelques probl\`emes quantiques fortement corr\'el\'es.},
year = {1999}}
@article{Kalos_1974,
author = {Kalos, M. H. and Levesque, D. and Verlet, L.},
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issue = {5},
journal = {Phys. Rev. A},
month = {May},
numpages = {0},
pages = {2178--2195},
publisher = {American Physical Society},
title = {Helium at zero temperature with hard-sphere and other forces},
url = {https://link.aps.org/doi/10.1103/PhysRevA.9.2178},
volume = {9},
year = {1974},
bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevA.9.2178},
bdsk-url-2 = {https://doi.org/10.1103/PhysRevA.9.2178}}
@article{Assaraf_1999A,
author = {Assaraf, Roland and Caffarel, Michel},
date-modified = {2022-09-15 09:18:50 +0200},
doi = {10.1103/PhysRevLett.83.4682},
issue = {23},
journal = {Phys. Rev. Lett.},
month = {Dec},
numpages = {0},
pages = {4682--4685},
publisher = {American Physical Society},
title = {Zero-Variance Principle for Monte Carlo Algorithms},
url = {https://link.aps.org/doi/10.1103/PhysRevLett.83.4682},
volume = {83},
year = {1999},
bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.83.4682},
bdsk-url-2 = {https://doi.org/10.1103/PhysRevLett.83.4682}}
@article{Caffarel_1988,
author = {Caffarel,Michel and Claverie,Pierre},
date-modified = {2022-09-15 10:16:31 +0200},
doi = {10.1063/1.454227},
journal = {J. Chem. Phys.},
number = {2},
pages = {1088-1099},
title = {Development of a pure diffusion quantum Monte Carlo method using a full generalized Feynman--Kac formula. I. Formalism},
volume = {88},
year = {1988},
bdsk-url-1 = {https://doi.org/10.1063/1.454227}}
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pages = {4745--4748},
publisher = {American Physical Society},
title = {Reptation Quantum Monte Carlo: A Method for Unbiased Ground-State Averages and Imaginary-Time Correlations},
url = {https://link.aps.org/doi/10.1103/PhysRevLett.82.4745},
volume = {82},
year = {1999},
bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.82.4745},
bdsk-url-2 = {https://doi.org/10.1103/PhysRevLett.82.4745}}
@article{Sorella_1998,
author = {Sorella, Sandro},
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month = {May},
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pages = {4558--4561},
publisher = {American Physical Society},
title = {Green Function Monte Carlo with Stochastic Reconfiguration},
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volume = {80},
year = {1998},
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@book{Golub_2012,
author = {Golub, Gene H. and Van Loan, Charles F.},
edition = {Fourth},
publisher = {The Johns Hopkins University Press},
title = {Matrix Computations},
year = {2012}}
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title = {Recent Progress in Quantum Monte Carlo Calculations of Nuclear Structure and Reactions},
volume = {787},
year = {2007},
bdsk-url-1 = {https://doi.org/10.1016/j.nuclphysa.2006.12.079}}
@article{Davidson_1975,
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year = {1975},
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date-modified = {2022-09-15 10:25:57 +0200},
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title = {Many-body wavefunctions for normal liquid $^{3}\mathrm{He}$},
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@article{Foulkes_2001,
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month = {Jan},
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pages = {33--83},
publisher = {American Physical Society},
title = {Quantum Monte Carlo simulations of solids},
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volume = {73},
year = {2001},
bdsk-url-1 = {https://link.aps.org/doi/10.1103/RevModPhys.73.33},
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@article{Kolorenc_2011,
author = {Kolorenc, J. and Mitas, L},
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volume = {74},
year = {2011},
bdsk-url-1 = {https://doi.org/10.1088/0034-4885/74/2/026502}}
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numpages = {52},
pages = {1067--1118},
publisher = {American Physical Society},
title = {Quantum Monte Carlo methods for nuclear physics},
url = {https://link.aps.org/doi/10.1103/RevModPhys.87.1067},
volume = {87},
year = {2015},
bdsk-url-1 = {https://link.aps.org/doi/10.1103/RevModPhys.87.1067},
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@article{Assaraf_1999B,
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year = {1999},
bdsk-url-1 = {https://doi.org/10.1103/PhysRevB.60.2299}}
@incollection{Caffarel_2000,
author = {M. Caffarel and R. Assaraf},
booktitle = {Lecture Notes in Chemistry},
date-modified = {2022-09-15 10:24:25 +0200},
editor = {M. Defranceschi and C. Le Bris},
pages = {45},
publisher = {Springer},
title = {A pedagogical introduction to quantum Monte Carlo},
year = {2000}}
@article{rothstein_93,
author = {Peter Belohorec and Stuart M. Rothstein and Jan Vrbik},
doi = {10.1063/1.464838},
eprint = {https://doi.org/10.1063/1.464838},
journal = {The Journal of Chemical Physics},
number = {8},
pages = {6401-6405},
title = {Infinitesimal differential diffusion quantum Monte Carlo study of CuH spectroscopic constants},
url = {https://doi.org/10.1063/1.464838},
volume = {98},
year = {1993},
bdsk-url-1 = {https://doi.org/10.1063/1.464838}}
@article{Applencourt_2014,
author = {Peter Belohorec and Stuart M. Rothstein and Jan Vrbik},
doi = {10.1063/1.464838},
eprint = {https://doi.org/10.1063/1.464838},
journal = {The Journal of Chemical Physics},
number = {8},
pages = {6401-6405},
title = {Infinitesimal differential diffusion quantum Monte Carlo study of CuH spectroscopic constants},
url = {https://doi.org/10.1063/1.464838},
volume = {98},
year = {1993},
bdsk-url-1 = {https://doi.org/10.1063/1.464838}}
@article{christiansen_1991,
author = {P. A. Christiansen},
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eprint = {https://doi.org/10.1063/1.461491},
journal = {The Journal of Chemical Physics},
number = {1},
pages = {361-363},
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url = {https://doi.org/10.1063/1.461491},
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year = {1991},
bdsk-url-1 = {https://doi.org/10.1063/1.461491}}
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doi = {https://doi.org/10.1016/j.cplett.2012.12.055},
issn = {0009-2614},
journal = {Chemical Physics Letters},
number = {Supplement C},
pages = {12 - 17},
title = {Quantum Monte Carlo ionization potential and electron affinity for transition metal atoms},
url = {http://www.sciencedirect.com/science/article/pii/S0009261413000079},
volume = {559},
year = {2013},
bdsk-url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261413000079},
bdsk-url-2 = {https://doi.org/10.1016/j.cplett.2012.12.055}}
@article{buendia_2006,
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doi = {https://doi.org/10.1016/j.cplett.2006.07.027},
issn = {0009-2614},
journal = {Chemical Physics Letters},
number = {4},
pages = {241 - 244},
title = {Correlated wave functions for the ground state of the atoms Li through Kr},
url = {http://www.sciencedirect.com/science/article/pii/S0009261406010372},
volume = {428},
year = {2006},
bdsk-url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261406010372},
bdsk-url-2 = {https://doi.org/10.1016/j.cplett.2006.07.027}}
@article{needs_2015,
author = {J. R. Trail and R. J. Needs},
doi = {10.1063/1.4907589},
eprint = {https://doi.org/10.1063/1.4907589},
journal = {The Journal of Chemical Physics},
number = {6},
pages = {064110},
title = {Correlated electron pseudopotentials for 3d-transition metals},
url = {https://doi.org/10.1063/1.4907589},
volume = {142},
year = {2015},
bdsk-url-1 = {https://doi.org/10.1063/1.4907589}}
@article{Mitas_1994,
author = {L. Mit\'a\v{s}},
doi = {10.1103/PhysRevA.49.4411},
issue = {6},
journal = {Phys. Rev. A},
month = {Jun},
numpages = {0},
pages = {4411--4414},
publisher = {American Physical Society},
title = {Quantum Monte Carlo calculation of the Fe atom},
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volume = {49},
year = {1994},
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@article{krogel_2016,
author = {Krogel, Jaron T. and Santana, Juan A. and Reboredo, Fernando A.},
doi = {10.1103/PhysRevB.93.075143},
issue = {7},
journal = {Phys. Rev. B},
month = {Feb},
numpages = {10},
pages = {075143},
publisher = {American Physical Society},
title = {Pseudopotentials for quantum Monte Carlo studies of transition metal oxides},
url = {https://link.aps.org/doi/10.1103/PhysRevB.93.075143},
volume = {93},
year = {2016},
bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.93.075143},
bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.93.075143}}
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doi = {10.1021/acs.jctc.6b00044},
eprint = {http://dx.doi.org/10.1021/acs.jctc.6b00044},
journal = {Journal of Chemical Theory and Computation},
note = {PMID: 26959751},
number = {4},
pages = {1674-1683},
title = {Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States},
url = {http://dx.doi.org/10.1021/acs.jctc.6b00044},
volume = {12},
year = {2016},
bdsk-url-1 = {http://dx.doi.org/10.1021/acs.jctc.6b00044}}
@article{Zhou_2017,
author = {Zhou, Xiaojun and Wang, Fan},
date-modified = {2022-09-30 16:11:07 +0200},
doi = {10.1002/jcc.24750},
issn = {1096-987X},
journal = {J. Comput. Chem},
keywords = {FN-DMC ⋅ barrier heights ⋅ H-transfer reactions ⋅ CCSD(T) ⋅ density functional theory},
number = {11},
pages = {798--806},
title = {Barrier heights of hydrogen-transfer reactions with diffusion quantum monte carlo method},
url = {http://dx.doi.org/10.1002/jcc.24750},
volume = {38},
year = {2017},
bdsk-url-1 = {http://dx.doi.org/10.1002/jcc.24750}}
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author = {Chen, Ji and Zen, Andrea and Brandenburg, Jan Gerit and Alf\`e, Dario and Michaelides, Angelos},
doi = {10.1103/PhysRevB.94.220102},
issue = {22},
journal = {Phys. Rev. B},
month = {Dec},
numpages = {5},
pages = {220102},
publisher = {American Physical Society},
title = {Evidence for stable square ice from quantum Monte Carlo},
url = {https://link.aps.org/doi/10.1103/PhysRevB.94.220102},
volume = {94},
year = {2016},
bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.94.220102},
bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.94.220102}}
@inbook{mitas_1993,
author = {L. Mit\'a\v{s}},
booktitle = {Computer Simulations Studies in Condensed Matter V},
editor = {D. P. Landau and K. K. Mon and H. B. Sch\"uttler},
pages = {94},
publisher = {Springer, Berlin},
year = {1993}}
@inbook{Caffarel_2016B,
author = {Michel Caffarel and Thoams Applencourt and Emmanuel Giner and Anthony Scemama},
booktitle = {Recent Progress in Quantum Monte Carlo},
chapter = {2},
doi = {10.1021/bk-2016-1234.ch002},
eprint = {http://pubs.acs.org/doi/pdf/10.1021/bk-2016-1234.ch002},
pages = {15-46},
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