In a previous article [Chem. Phys. 1994, 186, 355-374], Ruhoff derived a set of recursion relations for calculating multidimensional Franck-Condon overlap integrals within the harmonic approximation, taking into account the Duschinsky mixing effect. We show here how these relations can be implemente
On the calculation of Franck-Condon overlap integrals
โ Scribed by H.F. Hameka
- Publisher
- Elsevier Science
- Year
- 1970
- Weight
- 405 KB
- Volume
- 46
- Category
- Article
- ISSN
- 0031-8914
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๐ SIMILAR VOLUMES
The convolution theorem is used to evaluate the FranckแCondon integral. It is shown that this integral becomes the matrix element between two ''squeezed'' states. This enables one to evaluate the integral by using boson operators. In addition, a general method is developed to obtain integrals invol
We derive recursion relations for the polyatomic Franck-Condon factors using a general linear transformation of boson operators.
A Filinov transformation of the initial value representation of the semiclassical propagator has been used to obtain Franck-Condon intensities for a model of the photodetachment of H~-~ H + H2 + e-. Resonance peak widths and heights are obtained which are in good agreement with quantum results.