Paper
26 January 1994 Spirits of Mendeleyev and Dunham in the analysis of molecular spectra
J. F. Ogilvie
Author Affiliations +
Proceedings Volume 2205, 11th Symposium and School on High-Resolution Molecular Spectroscopy; (1994) https://doi.org/10.1117/12.166192
Event: High Resolution Molecular Spectroscopy: 11th Symposium and School, 1993, Moscow, Russian Federation
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.
© (1994) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
J. F. Ogilvie "Spirits of Mendeleyev and Dunham in the analysis of molecular spectra", Proc. SPIE 2205, 11th Symposium and School on High-Resolution Molecular Spectroscopy, (26 January 1994); https://doi.org/10.1117/12.166192
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KEYWORDS
Electrons

Molecules

Motion analysis

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