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20182025
most citedA coherent derivation of the Ewald summation for arbitrary orders of multipoles: The self-terms

11 citations · 11 across the 3 of their papers we have counts for

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physics.chem-ph2023

A Quasi Time-Reversible scheme based on density matrix extrapolation on the Grassmann manifold for Born-Oppenheimer Molecular Dynamics

Federica Pes, Ètienne Polack, Patrizia Mazzeo +3

This article proposes a so-called Quasi Time-Reversible (QTR G-Ext) scheme based on Grassmann extrapolation of density matrices for an accurate calculation of initial guesses in Bo…