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University of Illinois Urbana-Champaign

An algebraic approach to calculate franck-condon factors

Lemus, Renato

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https://hdl.handle.net/2142/107478

Description

Title
An algebraic approach to calculate franck-condon factors
Author(s)
Lemus, Renato
Issue Date
2020-06-22
Keyword(s)
Theory and Computation
Date of Ingest
2020-06-26T03:04:27Z
Abstract
An algebraic approach based on unitary algebras to calculate Franck-Condon factors (FCF's) is presented. The method is based on the unitary group approach, which consists in adding a scalar boson to the $\nu$-D harmonic oscillator space, taking advantage of the transformation brackets connecting the energy, coordinate and momentum representations. In this scheme the solutions are given in terms of an expansion of harmonic oscillator functions. In this way the overlaps are expressed in terms of simple scalar product of the eigenvectors. As a benchmark to illustrate our approach the case of two 1D-Morse potentials is presented. Discussions concerned with both non-Condon contributions and the harmonic limit are included. FCF's involving the 1D-Morse and asymmetric double Morse potentials are also considered. As an application, the FCF's involving the S-S stretching in the S$_2$O molecule are described in terms of two Morse potentials.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
Text
Genre of Resource
Conference Paper / Presentation
Language
eng
Permalink
http://hdl.handle.net/2142/107478
Copyright and License Information
Copyright 2020 is held by the Author(s)

Owning Collections

Abstracts & Presentations - 2020 International Symposium on Molecular Spectroscopy PRIMARY