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

被引:36
作者
OGILVIE, JF [1 ]
ODDERSHEDE, J [1 ]
SAUER, SPA [1 ]
机构
[1] ODENSE UNIV,DEPT CHEM,DK-5230 ODENSE,DENMARK
关键词
D O I
10.1016/0009-2614(94)00924-4
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 coefficients defining the energies of vibration-rotational states have comparable magnitudes.
引用
收藏
页码:183 / 190
页数:8
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