Analytic and algebraic evaluation of Franck-Condon overlap integrals
Journal Article
·
· Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory
- Yale Univ., New Haven, CT (United States). Center for Theoretical Physics
The problem of calculating Franck-Condon intensities in Polyatomic molecules remains of great interest. This calculation requires the knowledge of the wave functions of the initial and final states and the successive evaluation of the overlap integrals. It has been suggested that algebraic methods provide a way to obtain wave functions of polyatomic molecules. An analytic and algebraic evaluation of Franck-Condon overlap integrals for harmonic oscillators displaced by an amount {Delta} and of different frequencies ({omega}, {omega}{prime}) is presented. The results are extended to Morse oscillators to first order in effective anharmonicities.
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- FG02-91ER40608
- OSTI ID:
- 320838
- Journal Information:
- Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory, Vol. 102, Issue 47; Other Information: PBD: 19 Nov 1998
- Country of Publication:
- United States
- Language:
- English
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