La. Gribov et Iv. Maslov, Method of estimation of probabilities of photoinduced isomer-isomer structural transformations of polyatomic molecules, J MOL STRUC, 521, 2000, pp. 107-120
The new approach to the calculation of intensities of photoinduced isomer-i
somer transformations is developed. The theory is based on a consecutive qu
antum-mechanical approach to the calculation of probabilities of transition
s between different stationary states of topological isomers. Each transiti
on is treated as the electron-vibrational transition between the two energy
states that were calculated in the adiabatic approximation. (C) 2000 Elsev
ier Science B.V. All rights reserved.