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%0 Journal Article
%1 pes2023quasi
%A Pes, Federica
%A Polack, Étienne
%A Mazzeo, Patrizia
%A Dusson, Geneviève
%A Stamm, Benjamin
%A Lipparini, Filippo
%D 2023
%I American Chemical Society
%J The journal of physical chemistry letters
%K
%N 43
%P 9720-9726
%R 10.1021/acs.jpclett.3c02098
%T A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics
%V 14
@article{pes2023quasi,
added-at = {2024-02-23T11:55:20.000+0100},
affiliation = {Lipparini, F (Corresponding Author), Univ Pisa, Dipartimento Chim & Chim Ind, I-56124 Pisa, Italy.
Pes, Federica; Mazzeo, Patrizia; Lipparini, Filippo, Univ Pisa, Dipartimento Chim & Chim Ind, I-56124 Pisa, Italy.
Polack, Etienne, CERMICS, F-77455 Marne La Vallee, France.
Dusson, Genevieve, Univ Franche Comte, Lab Math Besanccon, UMR 6623, CNRS, F-25030 Besancon, France.
Stamm, Benjamin, Univ Stuttgart, Inst Appl Anal & Numer Simulat, D-70569 Stuttgart, Germany.},
author = {Pes, Federica and Polack, Étienne and Mazzeo, Patrizia and Dusson, Geneviève and Stamm, Benjamin and Lipparini, Filippo},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/20daf19d2d02fa7d3460e135a98e88de1/unibiblio},
doi = {10.1021/acs.jpclett.3c02098},
interhash = {9369d0c90918c5c467ecd5e4fa9cf809},
intrahash = {0daf19d2d02fa7d3460e135a98e88de1},
issn = {1948-7185},
journal = {The journal of physical chemistry letters},
keywords = {},
language = {eng},
number = 43,
orcid-numbers = {Stamm, Benjamin/0000-0003-3375-483X
PES, FEDERICA/0000-0001-9064-7876
Mazzeo, Patrizia/0000-0002-7015-8124
Lipparini, Filippo/0000-0002-4947-3912},
pages = {9720-9726},
publisher = {American Chemical Society},
research-areas = {Chemistry; Science & Technology - Other Topics; Materials Science;
Physics},
researcherid-numbers = {Stamm, Benjamin/B-5784-2014
Lipparini, Filippo/A-4095-2012},
timestamp = {2024-02-23T10:55:20.000+0100},
title = {A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics},
unique-id = {WOS:001096348200001},
volume = 14,
year = 2023
}