Unusual Features in Absorption Spectra Arising from Coupled Potential Surfaces

Abstract

The purpose of this Comment is to introduce the calculation and interpretation of unusual features in absorption spectra arising from coupied potential surfaces by using time dependent theory. A wide variety of spectroscopic phenomena are examined and spectra are calculated with new time dependent quantum mechanical methods. Examples include intensity borrowing, vibronic structure in intraconfigurational d-d transitions, interference dips on broad, unresolved absorption bands, the Jahn—Teller effect in the final state of an absorption transition and the intervalence absorption band. Comparisons of the theoretical calculations with experimental spectra are given and the potential for future applications is discussed.

Key Words:

• absorption spectra
• band shapes
• potential surfaces
• coupled potentials