| Vibrational Corrections to Transition Properties |
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T. Pluta Institute of Chemistry, Silesian University, Szkolna 9, 40-006 Katowice, Poland and A.J. Sadlej Department of Quantum Chemistry, Institute of Chemistry Nicolaus Copernicus University, Gagarina 7, 87-100 ToruĊ, Poland |
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| Received: August 17, 2000 |
| 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. |
| DOI: 10.12693/APhysPolA.98.363 PACS numbers: 33.20.Fb |