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Merge branch 'master' of git.irsamc.ups-tlse.fr:scemama/RSDFT-CIPSI-QMC

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Manuscript/rsdft-cipsi-qmc.bib
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@ -1,7 +1,7 @@
%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/
%% Created for Pierre-Francois Loos at 2020-08-20 13:13:29 +0200
%% Created for Pierre-Francois Loos at 2020-08-20 18:51:19 +0200
%% Saved with string encoding Unicode (UTF-8)
@ -17,18 +17,20 @@
Pages = {3700-3703},
Title = {Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration-interaction (QCISD)?},
Volume = {90},
Year = {1989}}
Year = {1989},
Bdsk-Url-1 = {https://doi.org/10.1063/1.455827}}
@article{Scuseria_1988,
Author = {G. E. Scuseria, C. L. Janssen, and H. F. Schaefer III},
Author = {G. E. Scuseria and C. L. Janssen and H. F. Schaefer III},
Date-Added = {2020-08-20 13:11:43 +0200},
Date-Modified = {2020-08-20 13:12:29 +0200},
Date-Modified = {2020-08-20 18:51:00 +0200},
Doi = {10.1063/1.455269},
Journal = {J. Chem. Phys.},
Pages = {7382--7387},
Title = {An efficient reformulation of the closed-shell coupled cluster single and double excitation (CCSD) equations},
Volume = {89},
Year = {1988}}
Year = {1988},
Bdsk-Url-1 = {https://doi.org/10.1063/1.455269}}
@article{Cizek_1969,
Author = {J. Cizek},
@ -37,18 +39,20 @@
Doi = {10.1002/9780470143599},
Journal = {Adv. Chem. Phys.},
Pages = {35},
Volume = {14}}
Volume = {14},
Bdsk-Url-1 = {https://doi.org/10.1002/9780470143599}}
@article{Purvis_1982,
Author = {G. D. Purvis III and R. J. Bartlett},
Author = {G. D. {Purvis III} and R. J. Bartlett},
Date-Added = {2020-08-20 13:06:17 +0200},
Date-Modified = {2020-08-20 13:07:06 +0200},
Date-Modified = {2020-08-20 18:51:19 +0200},
Doi = {10.1063/1.443164},
Journal = {J. Chem. Phys.},
Pages = {1910--1918},
Title = {A full coupled-cluster singles and doubles model - the inclusion of disconnected triples},
Volume = {76},
Year = {1982}}
Year = {1982},
Bdsk-Url-1 = {https://doi.org/10.1063/1.443164}}
@article{Perdew_1996,
Author = {John P. Perdew and Matthias Ernzerhof and Kieron Burke},

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Manuscript/rsdft-cipsi-qmc.tex
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@ -993,6 +993,7 @@ cancellations of errors.
%%%%%%%%%%%%%%%%%%%%%%%%
\begin{acknowledgments}
A.B was supported by the U.S.~Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, as part of the Computational Materials Sciences Program and Center for Predictive Simulation of Functional Materials.
This work was performed using HPC resources from GENCI-TGCC (Grand
Challenge 2019-gch0418) and from CALMIP (Toulouse) under allocation
2020-18005.