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Proceedings Paper

Spirits of Mendeleyev and Dunham in the analysis of molecular spectra
Author(s): J. F. Ogilvie
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Paper Abstract

After deriving the effective Hamiltonian for the motion of the nuclei in the field of the electrons, including terms for the adiabatic and nonadiabatic effects arising from the imperfect following by the electrons of the nuclear vibrations and rotations, we use symbolic computation in the spirit of Dunham to obtain analytic relations for the term coefficients as functions of the parameters in the radial functions in the effective Hamiltonian. The resulting terms include explicitly the proper dependence on the atomic reduced mass and on the mass of individual nuclei so that the values of the parameters are entirely independent of the effects of nuclear mass, in the spirit of Mendeleyev. Applications of this formalism to HCl and other molecules for which abundant vibration-rotational spectra are available illustrate the orders of magnitudes of the various coefficients and the accuracy of the computational approach.

Paper Details

Date Published: 26 January 1994
PDF: 13 pages
Proc. SPIE 2205, 11th Symposium and School on High-Resolution Molecular Spectroscopy, (26 January 1994);
Show Author Affiliations
J. F. Ogilvie, Institute of Atomic and Molecular Sciences (Taiwan)

Published in SPIE Proceedings Vol. 2205:
11th Symposium and School on High-Resolution Molecular Spectroscopy
Alexander I. Nadezhdinskii; Yu V. Ponomarev; Leonid N. Sinitsa, Editor(s)

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