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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, (October 2023)
DOI: 10.1021/acs.jpclett.3c02098

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Federica Scolari University of Stuttgart

Isabel Maria Pessanha Marcante University of Stuttgart

Univ. -Prof. Dr. -Ing. Franz Pesch University of Stuttgart

Robin Pesl University of Stuttgart

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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)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)Regularized minimal-norm solution of an overdetermined system of first kind integral equations.P. de Alba, L. Fermo, F. Pes, and G. Rodriguez. CoRR, (2022)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)

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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

Federica Scolari University of Stuttgart

Isabel Maria Pessanha Marcante University of Stuttgart

Univ. -Prof. Dr. -Ing. Franz Pesch University of Stuttgart

Robin Pesl University of Stuttgart

Other publications of authors with the same name

Disambiguation

PUMA

Disambiguation of "Pes, Federica"

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

Federica Scolari University of Stuttgart

Isabel Maria Pessanha Marcante University of Stuttgart

Univ. -Prof. Dr. -Ing. Franz Pesch University of Stuttgart

Robin Pesl University of Stuttgart

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
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URL
DOI
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A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born–Oppenheimer Molecular Dynamics