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.

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