An accurate analytic method for the calculation of the Franck–Condon factors: Its application to the study of rotational dependence
- 1 November 1978
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 69 (9) , 3987-3991
- https://doi.org/10.1063/1.437119
Abstract
We incorporated the perturbed Morse oscillator function and Manneback’s formulas into the matrix method to calculate the Franck–Condon factors. The method is exact in the context of the variational principle and is presented as a viable alternative to the numerical integration method where computational facilities are limited. Its accuracy is demonstrated by computing the eigenvalues of CO and Franck–Condon factors of the (B–X) band system of Na2. It is then applied to the study of rotational dependence of the Franck–Condon factors in the (A–X) band system of MgH.Keywords
This publication has 17 references indexed in Scilit:
- Comparison of three numerical techniques for calculating eigenvalues of an unsymmetrical double minimum oscillatorThe Journal of Chemical Physics, 1976
- Diatomic molecules as perturbed Morse oscillators. I. Energy levelsThe Journal of Chemical Physics, 1976
- Rotational dependence of Franck-Condon factors for molecules of astrophysical interestJournal of Quantitative Spectroscopy and Radiative Transfer, 1976
- Application of the finite-difference boundary value method to the calculation of Born–Oppenheimer vibrational eigenenergies for the double-minimum E,F 1Σ+g state of the hydrogen moleculeThe Journal of Chemical Physics, 1976
- Calculation of the Franck–Condon Factors: Single-α Approximation MethodCanadian Journal of Physics, 1975
- On Franck-Condon Factor CalculationsApplied Spectroscopy Reviews, 1973
- Rydberg-Klein-Rees potential for the X1Σ+ state of the CO moleculeJournal of Molecular Spectroscopy, 1971
- Detection of Methyl Alcohol in SagittariusThe Astrophysical Journal, 1970
- The influence of vibration-rotation interaction on intensities in the electronic spectra of diatomic molecules I. The hydroxyl radicalProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1962
- Computation of the intensities of vibrational spectra of electronic bands in diatomic moleculesPhysica, 1951