FCclasses3: Vibrationally‐resolved spectra simulated at the edge of the harmonic approximation
Sign Up to like & getrecommendations! 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
Complete collision data set for electrons scattering on molecular hydrogen and its isotopologues: I. Fully vibrationally-resolved electronic excitation of H2(X1Σg+)
Sign Up to like & getrecommendations! Published in 2021 at "Atomic Data and Nuclear Data Tables"
DOI: 10.1016/j.adt.2020.101361
Abstract: Abstract We present a comprehensive set of vibrationally-resolved cross sections for electron-impact electronic excitation of molecular hydrogen suitable for implementation in collisional-radiative models. The adiabatic-nuclei molecular convergent close-coupling method is used to calculate cross sections… read more here.
Keywords: molecular hydrogen; electronic excitation; vibrationally resolved; excitation ... See more keywords