Quasi-classical nonadiabatic transition probability for G3/2 × (t2 + e) Jahn-Teller systems

Leonid V. Poluyanov, Vadim Volokhov, Wolfgang Domcke

Publikation: Beitrag in FachzeitschriftArtikelBegutachtung

2 Zitate (Scopus)

Abstract

An analytic expression for the single-passage nonadiabatic transition probability in the vicinity of a G3/2 × (t2 + e) conical intersection in tetrahedral or octahedral systems containing heavy elements is derived in the quasi-classical approximation. The four-channel dynamical equations are solved for a straight-line nuclear trajectory in the five-dimensional space of the t2 and e vibrational modes. The analytic results obtained in the present work may be useful for trajectory surface-hopping simulations of the dynamics of the G3/2 × (t2 + e) Jahn-Teller effect.

OriginalspracheEnglisch
Seiten (von - bis)1-4
Seitenumfang4
FachzeitschriftChemical Physics
Jahrgang463
DOIs
PublikationsstatusVeröffentlicht - 16 Dez. 2015

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