On the calculation of Franck-Condon overlap integrals
1970; Elsevier BV; Volume: 46; Issue: 2 Linguagem: Inglês
10.1016/0031-8914(70)90227-2
ISSN1873-1767
Autores Tópico(s)Spectroscopy and Quantum Chemical Studies
ResumoA simple asymptotic equation is derived which describes the overlap integrals between the eigenfunctions of two harmonic oscillators, in particular between the ground state eigenfunction of one of the oscillators and the excited state eigenfunctions of the other oscillator. The equation is derived for large values of the quantum number n and it gives excellent agreement with the exact values if n is sufficiently large (n > 10) and if the displacement between the two oscillators is not too small.
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