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Data · dataset · 2006

Exact analytical expressions and numerical analysis of two-center Franck–Condon factors and matrix elements over displaced harmonic oscillator wave functions

Listed in Teesside University Research Data Repository

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Abstract

A detailed study is undertaken, using various techniques, in deriving analytical formula of Franck-Condon overlap integrals and matrix elements of various functions of power (x^l ), exponential (exp (- 2 c x)) and Gaussian (exp (- c x^2 )) over displaced harmonic oscillator wave functions with arbitrary frequencies. The results suggested by previous experience with various algorithms are presented in mathematically compact form and consist of generalization.

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The relationships obtained are val... Title of program: FRANCK (Franck-Condon factors and matrix elements programs) Catalogue Id: ADXX_v1_0 Nature of problem The programs calculate the Franck-Condon factors and matrix elements over displaced harmonic oscillator wave functions with arbitrary quantum numbers (n, n1), frequencies (a, a1) and displacement (d) for the various functions of power (x l ), exponential (exp(-2cx)) and Gaussian (exp(-cx 2 )).

Versions of this program held in the CPC repository in Mendeley Data ADXX_v1_0; FRANCK (Franck-Condon factors and matrix elements programs); 10.1016/j.cpc.2006.04.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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