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Non-adiabatic molecular dynamics with Delta SCF excited states

Pradhan, E; Sato, K; Akimov, AV

Akimov, AV (reprint author), Univ Buffalo State Univ New York, Dept Chem, Buffalo, NY 14260 USA.

JOURNAL OF PHYSICS-CONDENSED MATTER, 2018; 30 (48):

Abstract

Accurate modelling of nonadiabatic transitions and electron-phonon interactions in extended systems is essential for understanding the charge and ener......

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