ANALYTIC POTENTIAL FUNCTIONS FOR WEAKLY BOUND MOLECULES - X-STATE AND A-STATE OF NAAR AND THE A-STATE OF NANE

被引:47
作者
GOBLE, JH [1 ]
WINN, JS [1 ]
机构
[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
关键词
D O I
10.1063/1.437762
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
The interatomic potential functions for the ground and first excited electronic states of the weakly bound molecule NaAr and the first excited state of NaNe are derived by inverting spectral data to analytic potential functions. Using the Thakkar potential expansion, it is shown how one may deduce vibrationalassignments, compute accurate dissociation energies, and combine two potentials with an atomic transition to advantage. The resulting potential functions are in excellent agreement not only with spectroscopic data, but also with potentials derived from scattering and atomic resonance line broadening experiments. © 1979 American Institute of Physics.
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页码:2051 / 2057
页数:7
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