%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 ubs_10008 ubs_20013 ubs_30123 ubs_40429 unibibliografie wos %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 = {2024-02-23T11:55:19.000+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 = {ubs_10008 ubs_20013 ubs_30123 ubs_40429 unibibliografie wos}, 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 = {2024-03-14T15:33:49.000+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 }