Vibration-rotation matrix elements for diatomic molecules; vibration-rotation interaction functions Fv′v (m) for CO |
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Authors: | JP Bouanich C Brodbeck |
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Institution: | Laboratoire d''Infrarouge Laboratoire Associé au CNRS, Université de Paris XI, Bǎtiment 350,91405 Orsay France |
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Abstract: | General expressions for the fourth-order vibrational matrix elements are obtained for the transitions v → v′ (v ? v′ v + 4) using a sixth-power internuclear potential and a quartic dipole moment function. The results for the dipole moment coefficients M0 to M4 of CO and for some transition moments Rv′v deduced from a calculation including successively second, third and fourth order perturbation theory are compared.Using the rotational potential function expanded through the cubic term as a perturbation, we have also obtained general expressions for the vibration-rotation matrix elements. The vibration-rotation interaction functions Fv′v (m) are calculated for the transitions v → v′ (v = 0, 10, 20 and v ? v′ ? v + 4) of CO and the coefficients C, D, E and G of the quartic polynomials fitting these functions are deduced. Taking account of uncertainties in the matrix elements R00 to R40, an error estimate for the coefficients of F20(m) and F30(m) is given. |
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