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

Federica Pes1, Étienne Polack2, Patrizia Mazzeo1

  • 1Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via G. Moruzzi 13, 56124 Pisa, Italy.

The Journal of Physical Chemistry Letters
|October 25, 2023
PubMed

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