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The Adiabatic-Molecular Dynamics|generalized Vertical Hessian approach: a mixed quantum classical method to compute electronic spectra of flexible molecules in condensed phase
Cerezo, Javier, Aranda, Daniel, Avila Ferrer, Francisco J., Prampolini, Giacomo, Santoro, FabrizioJournal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b01009
Date:
December, 2019
File:
PDF, 4.88 MB
2019