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Franck–Condon factors for diatomic molecules with anharmonic corrections
Authors:F J Melndez  L Sandoval  A Palma
Institution:

a Laboratorio de Química Teórica, C. de Investigación, Facultad de Ciencias Químicas, B. Universidad Autónoma de Puebla, Edif. 140, Ciudad Universitaria. Puebla, Puebla 72570, Mexico

b Facultad de Ciencias de la Computación (BUAP), Apartado Postal 589, Puebla, Pue. 72001, Mexico

c Instituto Nacional de Astrofísica, Optica y Electrónica (INAOE), Apdo. Postal 51 y 16, Puebla, Pue. 72000, Mexico

Abstract:Some of the band systems of several astrophysically important molecules are calculated and compared with the results obtained by calculations based on realistic Klein–Dunham and Rydberg–Klein–Rees potential functions. The Morse potential is approximated by means of a fourth-order anharmonic oscillator model. In the second-quantized formalism, the anharmonic Hamiltonian is diagonalized by using the Bogoliubov–Tyablikov transformation. The diagonalization process gives a shift in the frequency associated with each normal mode of harmonic vibration of the molecules presented here. The Franck–Condon factors are estimated using this new frequency within the framework of a harmonic oscillator.
Keywords:Diatomic molecules  Franck–Condon factors  Morse potential
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