EVALUATION OF ADIABATIC AND NONADIABATIC EFFECTS FROM VIBRATION-ROTATIONAL SPECTRA OF LIH CHI (1)SIGMA(+)

Citation
Jf. Ogilvie et al., EVALUATION OF ADIABATIC AND NONADIABATIC EFFECTS FROM VIBRATION-ROTATIONAL SPECTRA OF LIH CHI (1)SIGMA(+), Chemical physics letters, 228(1-3), 1994, pp. 183-190
Citations number
35
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
228
Issue
1-3
Year of publication
1994
Pages
183 - 190
Database
ISI
SICI code
0009-2614(1994)228:1-3<183:EOAANE>2.0.ZU;2-5
Abstract
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 vibra tion-rotational transitions of LiH in four isotopic variants; on this basis we evaluated separate radial functions related to particular ter ms in the effective Hamiltonian for adiabatic, nonadiabatic rotational and nonadiabatic vibrational effects of the separate nuclei, in addit ion to the internuclear potential energy that predominantly determines the wavenumbers of these transitions. The contributions of the former (extramechanical) effects to term coefficients defining the energies of vibration-rotational states have comparable magnitudes.