Abstract
In this paper, the question of reliability of the Morse potential as a potential curve for a diatomic molecule is investigated on the basis of calculating the rotational constant. It is shown that the Morse potential describes well potential curves of X1Σ +q and B1Πu electronic states of a Na2 molecule. Calculations of Franck-Condon factors for X1Σ +q ↔ B1Πu band of a Na2 molecule using wave functions of the Morse potential confirm the known correlation between the values of Franck-Condon factors and rotational constants of combined electronic states.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
Literature cited
G. Herzberg, Molecular Spectra and Molecular Structure: Vol. 1, Spectra of Diatomic Molecules, 2nd edn., Van Nostrand-Reinhold (1950).
V. M. Tatevskii, Molecular Structure [in Russian], Khimiya, Moscow (1977).
L. A. Kuznetsova, N. E. Kuz'menko, and Yu. A. Plastinin, Probabilities of Optical Transitions of Diatomic Molecules [in Russian], R. V. Khokhlov (ed.), Nauka, Moscow (1980).
L. P. Rapoport, V. I. Lisitsin, and S. M. Yazykova, J. Phys.B10, No. 17, 3359 (1977).
L. P. Rapoport and V. I. Lisitsyn, Izv. Vyssh. Uchebn. Zaved., Fiz., No. 2, 99 (1980).
W. Demtröder, R. N. Zare, and M. McClintook, J. Chem. Phys.,51, 5495 (1969).
T. Y. Chang and M. Carplus, J. Chem. Phys.,52, 783 (1970).
W. Demtröder, W. Stetxenbach, M. Stock, and T. Witt, J. Mol. Spectrosc,61, 382 (1976).
Author information
Authors and Affiliations
Additional information
Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 9, pp. 100–103, September, 1983.
Rights and permissions
About this article
Cite this article
Lisitsyn, V.I., Yazykova, S.M. & Zakirio, A.V. Quantum mechanical calculation of rotational constants and Franck-Condon factors of diatomic molecules. Soviet Physics Journal 26, 863–865 (1983). https://doi.org/10.1007/BF00891860
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF00891860