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%% This BibTeX bibliography file was created using BibDeslippk.
%% http://bibdesk.sourceforge.net/
%% Created for Pierre-Francois Loos at 2017-11-17 16:14:44 +0100
%% Saved with string encoding Unicode (UTF-8)
79. M. Caffarel, T. Applencourt, E. Giner, and A. Scemama <a href="cipsi.pdf">Using CIPSI nodes
in diffusion Monte Carlo'' Recent Progress in Quantum Monte Carlo</a>
ACS Symposium Series, Vol. 1234 Chapter 2, pp 15-46
and arXiv:1607.06742v2 [physics.chem-ph] (2016).
Hurley_1987,Hammond_1987
M. Caffarel, R. Assaraf <a href="file:32.pdf"> A pedagogical introduction
to quantum Monte Carlo </a> Mathematical models and methods for <em>ab initio</em> Quantum Chemistry in
Lecture Notes in Chemistry, Ed. by M. Defranceschi and C. Le Bris, Springer p.45 (2000).
Lee M A, Schmidt K E, Kalos M H and Chester G V 1981, Phys. Rev. Lett. 46 728
[12] Holzmann M, Bernu B and Ceperley D M 2006 Phys. Rev. B 74 104510
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},
eprint = {
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}
,
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. }
}
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author = {M. H. Kalos},
title = {Domain Green's Function Sampling in Diffusion Monte Carlo},
institution = {University of North Texas Libraries, UNT Digital Library},
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}
@phdthesis{Assaraf_1999B,
author = {R. Assaraf},
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school = {Universit\'e d Pierre et Marie Curie},
year = {1999},
address = {Paris}
}
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pages={45},
year={2000}
}
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author = {Zhou, Xiaojun and Wang, Fan},
title = {Barrier heights of hydrogen-transfer reactions with diffusion quantum monte carlo method},
journal = {Journal of Computational Chemistry},
volume = {38},
number = {11},
issn = {1096-987X},
url = {http://dx.doi.org/10.1002/jcc.24750},
doi = {10.1002/jcc.24750},
pages = {798--806},
keywords = {FN-DMC ⋅ barrier heights ⋅ H-transfer reactions ⋅ CCSD(T) ⋅ density functional theory},
year = {2017},
}
@article{mitas_2016}
ok{Caffarel_2016B,
author = {Michel Caffarel and Thoams Applencourt and Emmanuel Giner and Anthony Scemama},
title = {Using CIPSI Nodes in Diffusion Monte Carlo},
booktitle = {Recent Progress in Quantum Monte Carlo},
chapter = {2},
pages = {15-46},
doi = {10.1021/bk-2016-1234.ch002},
URL = {http://pubs.acs.org/doi/abs/10.1021/bk-2016-1234.ch002},
eprint = {http://pubs.acs.org/doi/pdf/10.1021/bk-2016-1234.ch002}
}
author = {Dubecký, Matúš and Mitas, Lubos and Jurečka, Petr},
title = {Noncovalent Interactions by Quantum Monte Carlo},
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number = {9},
pages = {5188-5215},
year = {2016},
doi = {10.1021/acs.chemrev.5b00577},
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},
eprint = {
http://dx.doi.org/10.1021/acs.chemrev.5b00577
}
}
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author = {L. Mit\'a\v{s}},
title = {},
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publisher={Springer, Berlin},
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@inbook{Caffarel_2016B,
author = {Michel Caffarel and Thoams Applencourt and Emmanuel Giner and Anthony Scemama},
title = {Using CIPSI Nodes in Diffusion Monte Carlo},
booktitle = {Recent Progress in Quantum Monte Carlo},
chapter = {2},
pages = {15-46},
doi = {10.1021/bk-2016-1234.ch002},
URL = {http://pubs.acs.org/doi/abs/10.1021/bk-2016-1234.ch002},
eprint = {http://pubs.acs.org/doi/pdf/10.1021/bk-2016-1234.ch002}
}
@article{arxiv,
Author = {Michel Caffarel and Thomas Applencourt and Emmanuel Giner and Anthony Scemama},
Title = {Using CIPSI nodes in diffusion Monte Carlo},
Year = {2016},
Eprint = {arXiv:1607.06742},
Doi = {10.1021/bk-2016-1234.ch002},
}
@article{Caffarel_2010,
author = {Thomas Bouab\c{c}a and Beno\^{i}t Bra\"{\i}da and Michel Caffarel},
title = {Multi-Jastrow trial wavefunctions for electronic structure calculations with quantum Monte Carlo},
journal = {The Journal of Chemical Physics},
volume = {133},
number = {4},
pages = {044111},
year = {2010},
doi = {10.1063/1.3457364},
URL = {
https://doi.org/10.1063/1.3457364
},
eprint = {
https://doi.org/10.1063/1.3457364
}
}
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author = {Michel Caffarel and Jean-Pierre Daudey and Jean-Louis Heully and Alejandro Ramírez-Solís},
title = {Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: Spectroscopy of the copper atom},
journal = {The Journal of Chemical Physics},
volume = {123},
number = {9},
pages = {094102},
year = {2005},
doi = {10.1063/1.2011393},
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},
eprint = {
https://doi.org/10.1063/1.2011393
}
}
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Author = {L{\"u}chow, Arne and Petz, Rene and Schwarz, Annett},
Date-Added = {2017-10-07 21:01:42 +0000},
Date-Modified = {2017-10-07 21:01:47 +0000},
Doi = {10.1524/zpch.2010.6109},
Issn = {0942-9352},
Journal = {Zeitschrift f{\"u}r Physikalische Chemie},
Month = {Apr},
Number = {3-4},
Pages = {343--355},
Publisher = {Walter de Gruyter GmbH},
Title = {Electron Structure Quantum Monte Carlo},
Url = {http://dx.doi.org/10.1524/zpch.2010.6109},
Volume = {224},
Year = {2010},
Bdsk-Url-1 = {http://dx.doi.org/10.1524/zpch.2010.6109}}
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Author = {J. Drowart and A. Pattoret and S. Smoes},
Date-Added = {2017-10-07 20:19:58 +0000},
Date-Modified = {2017-10-07 20:21:42 +0000},
Journal = {Proc. Br. Ceram. Soc.},
Pages = {67−88},
Title = {Mass Spectrometric Studies of the Vaporization of Refractory Compounds},
Volume = {8},
Year = {1967}}
@misc{qmcchem,
Author = {A. Scemama and E. Giner and T. Applencourt and M. Caffarel},
Date-Added = {2017-10-07 12:48:06 +0000},
Date-Modified = {2017-10-07 12:48:06 +0000},
Note = {https://github.com/scemama/qmcchem},
Title = {QMC=Chem},
Year = 2017}
@misc{QP,
Author = {A. Scemama and T. Applencourt and Y. Garniron and E. Giner and G. David and M. Caffarel},
Date-Added = {2017-10-07 12:17:36 +0000},
Date-Modified = {2017-10-07 12:17:36 +0000},
Doi = {10.5281/zenodo.200970},
Month = {Dec},
Note = {\url{https://github.com/LCPQ/quantum_package}},
Publisher = {Zenodo},
Title = {Quantum Package v1.0},
Url = {https://github.com/LCPQ/quantum_package},
Year = {2016},
Bdsk-Url-1 = {https://github.com/LCPQ/quantum_package},
Bdsk-Url-2 = {http://dx.doi.org/10.5281/zenodo.200970}}
@article{Haghighi_Mood_2017,
Author = {Haghighi Mood, Kaveh and L{\"u}chow, Arne},
Doi = {10.1021/acs.jpca.7b05798},
Issn = {1520-5215},
Journal = {The Journal of Physical Chemistry A},
Month = {Aug},
Number = {32},
Pages = {6165--6171},
Publisher = {American Chemical Society (ACS)},
Title = {Full Wave Function Optimization with Quantum Monte Carlo and Its Effect on the Dissociation Energy of FeS},
Url = {http://dx.doi.org/10.1021/acs.jpca.7b05798},
Volume = {121},
Year = {2017},
Bdsk-Url-1 = {http://dx.doi.org/10.1021/acs.jpca.7b05798}}
@article{Dzubak_2017,
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