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- Title
Franck-Condon factors-Computational approaches and recent developments.
- Authors
Borrelli, Raffaele; Capobianco, Amedeo; Peluso, Andrea
- Abstract
Algorithms and methodologies for the calculation of Franck-Condon integrals are reviewed. Starting from the standard approach based on the Cartesian representation of the normal modes and the use of Duschinsky's transformation and recursion formulas, methods for treating large displacements of the equilibrium positions and anharmonic and non-Condon effects are considered. Finally, focusing attention on problems arising from the use of recurrence relations, some of the proposed solutions are critically reviewed along with new alternative approaches.
- Subjects
FRANCK-Condon principle; INTEGRALS; GENERATING functions; HERMITE polynomials; PHOTOELECTRON spectra; CHEMICAL equilibrium
- Publication
Canadian Journal of Chemistry, 2013, Vol 91, Issue 7, p495
- ISSN
0008-4042
- Publication type
Article
- DOI
10.1139/cjc-2012-0518