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Evaluation of adiabatic and nonadiabatic effects from vibration—rotational spectra of LiH X 1Σ+

✍ Scribed by J.F. Ogilvie; J. Oddershede; S.P.A. Sauer

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
750 KB
Volume
228
Category
Article
ISSN
0009-2614

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✦ Synopsis

We combined radial functions for the rotational g-factor and electric dipole moment, from molecular electronic computations but tested with experimental data, with spectral data of 557 pure rotational and vibration-rotational transitions of LiH in four isotopic variants; on this basis we evaluated separate radial functions related to particular terms in the effective Hamiltonian for adiabatic, nonadiabatic rotational and nonadiabatic vibrational effects of the separate nuclei, in addition to the internuclear potential energy that predominantly determines the wavenumbers of these transitions. The contributions of the former (extramechanical) effects to term coefftcients defining the energies of vibration-rotational states have comparable magnitudes.

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