Binding energies of the ground triplet state a3Σu+ of Rb2 and Cs2 in terms of the generalized Le Roy-Bernstein near-dissociation expansion

被引:8
|
作者
Sovkov, V. B. [1 ]
Ivanov, V. S.
机构
[1] St Petersburg State Univ, VA Fock Inst Phys, St Petersburg 198504, Russia
来源
JOURNAL OF CHEMICAL PHYSICS | 2014年 / 140卷 / 13期
关键词
RENORMALIZED NUMEROV METHOD; VIBRATIONAL SPACINGS; DIATOMIC-MOLECULES; SPECTROSCOPIC DATA; POTENTIAL-ENERGY; SCHRODINGER-EQUATION; SPECTRAL DATA; BOUND-STATES; BEHAVIOR; NA-2;
D O I
10.1063/1.4869981
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
Formulae of Le Roy-Bernstein near-dissociation theory are derived in a general isotope-invariant form, applicable to any term in the rotational expansion of a diatomic ro-vibrational term value. It is proposed to use the generalized Le Roy-Bernstein expansion to describe the binding energies (ro-vibrational term values) of the ground triplet state a(3)Sigma(+)(u) of alkali metal dimers. The parameters of this description are determined for Rb-2 and Cs-2 molecules. This approach gives a recipe to calculate the whole variety of the binding energies with characteristic accuracies from similar to 1 x 10(-3) to 1 x 10(-2) cm(-1) using a relatively simple algebraic equation. (C) 2014 AIP Publishing LLC.
引用
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页数:10
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