On the vibration-rotational matrix elements for diatomic molecules. Bouanich, J. & Blumenfeld, L Journal of Quantitative Spectroscopy and Radiative Transfer, 36(2):87–111, 1986. doi abstract bibtex Theoretical expressions for the vibro-rotational matrix elements of powers of the reduced displacement from equilibrium, corresponding to the infrared and Raman transitions vJ→v′J′ with v′⩽v+4, are obtained in terms of quartic polynomials in m (or J), including contributions from theDunham potential-energy coefficients a1, a2, a3. It is shown that it is preferable to consider the coefficients of the vibration-rotation interaction function [Fv′v(m)]12 rather than the Herman-Wallis factors. Two formalisms derived from power series expansion of the vibration-rotational internuclear potential function have been applied to the infrared transitions v→v′ (with v = 0, 10, 20) of the ground electronic state of CO.
@article{bouanich1986,
title = {On the vibration-rotational matrix elements for diatomic molecules},
volume = {36},
doi = {10.1016/0022-4073(86)90114-7},
abstract = {Theoretical expressions for the vibro-rotational matrix elements of powers of the reduced displacement from equilibrium, corresponding to the infrared and Raman transitions vJ→v′J′ with v′⩽v+4, are obtained in terms of quartic polynomials in m (or J), including contributions from theDunham potential-energy coefficients a1, a2, a3. It is shown that it is preferable to consider the coefficients of the vibration-rotation interaction function [Fv′v(m)]12 rather than the Herman-Wallis factors. Two formalisms derived from power series expansion of the vibration-rotational internuclear potential function have been applied to the infrared transitions v→v′ (with v = 0, 10, 20) of the ground electronic state of CO.},
number = {2},
journal = {Journal of Quantitative Spectroscopy and Radiative Transfer},
author = {Bouanich, J.-P. and Blumenfeld, L},
year = {1986},
pages = {87--111},
}
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