LAUSR

FCclasses3: Vibrationally‐resolved spectra simulated at the edge of the harmonic approximation

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1 Published in 2022 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.27027

Abstract: We introduce FCclasses3, a code to carry out vibronic simulations of electronic spectra and nonradiative rates, based on the harmonic approximation. Key new features are: implementation of the full family of vertical and adiabatic harmonic… read more here.

Keywords: harmonic approximation; fcclasses3 vibrationally; vibrationally resolved; fcclasses3 ... See more keywords