Promoting-mode free formalism for excited state radiationless decay process with Duschinsky rotation effect

• 来源期刊: 中国科学B辑（英文版）
• 年，卷（期）: 2008,（12）
• 页码范围: 1153-1158
• 页数: 6页
• 语种: 英文
• DOI: 10.1007/s11426-008-0130-4

摘要

In the present work, through the path integral of Gaussian type correlation function, a new formalism based on Fermi-Golden Rule for calculating the rate constant of nonradiative decay process with Duschinsky rotation effect in polyatomic molecules is developed. The advantage of the present path-integral formalism is promoting-mode free. In order to get the rate constant, a "transition rate matrix" needs to be calculated. The rate constant calculated previously is only an approximation of diagonal elements of our "transition rate matrix ". The total rate should be the summation over all the matrix elements.