%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 %J The Journal of Physical Chemistry Letters %K ians imported nmh %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 %U https://doi.org/10.1021/acs.jpclett.3c02098

@article{pes2023quasi, added-at = {2024-04-16T19:36:35.000+0200}, 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/21b2247e7d08261f020f6e2fdead42a97/bstamm}, day = 02, doi = {10.1021/acs.jpclett.3c02098}, interhash = {9369d0c90918c5c467ecd5e4fa9cf809}, intrahash = {1b2247e7d08261f020f6e2fdead42a97}, journal = {The Journal of Physical Chemistry Letters}, keywords = {ians imported nmh}, month = {11}, timestamp = {2024-04-17T08:40:31.000+0200}, title = {A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born–Oppenheimer Molecular Dynamics}, url = {https://doi.org/10.1021/acs.jpclett.3c02098}, year = 2023 }