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A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics

F. Pes, É. Polack, P. Mazzeo, G. Dusson, B. Stamm, and F. Lipparini. The journal of physical chemistry letters, 14 (43): 9720-9726 (2023)
DOI: 10.1021/acs.jpclett.3c02098

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Patrizia Ambrisi University of Stuttgart

Other publications of authors with the same name

A ΔSCF model for excited states within a polarisable embeddingM. Nottoli, P. Mazzeo, F. Lipparini, L. Cupellini, and B. Mennucci. Molecular physics, 121 (9-10): e2089605 (2023)A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born–Oppenheimer Molecular DynamicsF. Pes, É. Polack, P. Mazzeo, G. Dusson, B. Stamm, and F. Lipparini. The Journal of Physical Chemistry Letters, (October 2023)QM/AMOEBA description of properties and dynamics of embedded moleculesM. Nottoli, M. Bondanza, P. Mazzeo, L. Cupellini, C. Curutchet, D. Loco, L. Lagardère, J. Piquemal, B. Mennucci, and F. Lipparini. WIREs Computational Molecular Science, (June 2023)A ΔSCF model for excited states within a polarisable embeddingM. Nottoli, P. Mazzeo, F. Lipparini, L. Cupellini, and B. Mennucci. Molecular Physics, (June 2022)A Quasi Time-Reversible scheme based on density matrix extrapolation on the Grassmann manifold for Born-Oppenheimer Molecular DynamicsF. Pes, È. Polack, P. Mazzeo, G. Dusson, B. Stamm, and F. Lipparini. (2023)A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular DynamicsF. Pes, É. Polack, P. Mazzeo, G. Dusson, B. Stamm, and F. Lipparini. The journal of physical chemistry letters, 14 (43): 9720-9726 (2023)

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A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics

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Patrizia Ambrisi University of Stuttgart

Other publications of authors with the same name

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Disambiguation of "Mazzeo, Patrizia"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics

Please choose a person to relate this publication to

Patrizia Ambrisi University of Stuttgart

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Disambiguation

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A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics