ВНУТРИМОЛЕКУЛЯРНЫЙ ПЕРЕНОС ЗАРЯДА В ТРИМЕРНЫХ СИСТЕМАХ СМЕШАННОЙ ВАЛЕНТНОСТИ: ДИНАМИЧЕСКОЕ РАССМОТРЕНИЕ

Сергей БОЛДЫРЕВ НИЛ физики и инженерии наноматериалов и синергетики им. Е.П. Покатилова

Abstract

The dynamical vibronic problem for eigenvalues and eigenfunctions of the trimeric mixed-valence system was solved. The inter-valence charge-transfer (IVCT) band was examined in detail in the cases of weak, intermediate and strong vibronic coupling. It was shown that the Hush-type analysis of the IVCT band gives reliable values for parameters of vibronic and electronic coupling.