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- Title
Franck-Condon factors using supervised artificial neural networks. I. The CF cation.
- Authors
Sandoval, Lourdes; Amero, José; Vazquez, Gabriel; Palma, Alejandro
- Abstract
Several studies of the electronic and vibrational structure of CF have been performed since this molecule was first discovered to occur in the interstellar medium, and even before that. However, researchers have paid little attention to calculating its Franck-Condon factors (FCFs), which can aid the identification of this molecule through comparison with the observed intensity spectrum. In this work, an analysis of all of the potential energy curves of CF that were candidates for this kind of calculation was undertaken. The Franck-Condon factors of CF were calculated using a supervised neural network with two layers and a variable learning rate.
- Subjects
FRANCK-Condon principle; ARTIFICIAL neural networks; NUCLEAR vibrational states; RESEARCH; ENERGY auditing
- Publication
Journal of Molecular Modeling, 2014, Vol 20, Issue 6, p1
- ISSN
1610-2940
- Publication type
Article
- DOI
10.1007/s00894-014-2300-y