Effective Reduction of Wavenumbers of Rotational and Vibration-Rotational Transitions of LiH X1Sigma+
A deformationally self-consistent procedure is applied to reduce the wavenumbers of 594 pure rotational and vibration-rotational transitions of 7Li1H, 6Li1H, 7Li2H, and 6Li2H to 15 unconstrained and 2 constrained parameters with sigma; = 1.098, sigma = 0.000554 cm-1, and F = 7.704 x 10(14). The quality of the Born-Oppenheimer approximation and the extent of its breakdown in LiH are reexamined. Copyright 1997 Academic Press. Copyright 1997Academic Press
Molski
M
Faculty of Chemistry, Adam Mickiewicz University, ul. Grunwaldzka 6, Poznan, PL 60-780, Poland