%0 Journal Article %1 Pes_2023 %A Pes, Federica %A Polack, Étienne %A Mazzeo, Patrizia %A Dusson, Geneviève %A Stamm, Benjamin %A Lipparini, Filippo %D 2023 %I American Chemical Society (ACS) %J The Journal of Physical Chemistry Letters %K EXC2075 PN3 PN3-14 selected %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 %U https://doi.org/10.1021%2Facs.jpclett.3c02098

@article{Pes_2023, added-at = {2024-09-12T12:02:31.000+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/252b6acdff4df8e0eae3d6962df9d11c9/testusersimtech}, doi = {10.1021/acs.jpclett.3c02098}, interhash = {5da6a41041604153f768e138235b0b21}, intrahash = {52b6acdff4df8e0eae3d6962df9d11c9}, journal = {The Journal of Physical Chemistry Letters}, keywords = {EXC2075 PN3 PN3-14 selected}, month = {10}, pages = {9720--9726}, publisher = {American Chemical Society ({ACS})}, timestamp = {2024-09-12T12:02:31.000+0200}, title = {A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born{\textendash}Oppenheimer Molecular Dynamics}, url = {https://doi.org/10.1021%2Facs.jpclett.3c02098}, year = 2023 }