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Algorithms for computing Franck–Condon overlap integrals

✍ Scribed by Peder Thusgaard Ruhoff; Mark A. Ratner

Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
424 KB
Volume
77
Category
Article
ISSN
0020-7608

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✦ Synopsis

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 implemented in a computationally efficient manner.

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