Vibrational Corrections to Transition Properties

• Authors: T. Pluta , A.J. Sadlej
• Languages of publication: EN

Abstracts

EN

The vibrational contributions to second-order transition properties are considered in the framework of the Born-Oppenheimer approximation. It is shown that the usual formula for vibrational second-order transition matrix elements is incomplete and needs to be supplemented by a term of purely vibrational origin. This pure vibrational contribution is calculated for vibrational transition polarizabilities in LiH and BeF and found to be quite significant. Its inclusion in theoretically calculated data for the Raman intensities appears to be necessary.

Keywords

EN

33.20.Fb

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2000
• Volume: 98
• Issue: 4
• Pages: 363-371

Dates

published

2000-10

received

2000-08-17

Contributors

author

T. Pluta

• Institute of Chemistry, Silesian University, Szkolna 9, 40-006 Katowice, Poland

author

A.J. Sadlej

• Department of Quantum Chemistry, Institute of Chemistry Nicolaus Copernicus University, Gagarina 7, 87-100 Toruń, Poland