Algorithms for computing Franck–Condon o
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Peder Thusgaard Ruhoff; Mark A. Ratner
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Article
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2000
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John Wiley and Sons
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English
⚖ 424 KB
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