Theoretical study of the electronic structure of LiCs, NaCs, and KCs molecules

被引：110

作者：

Korek, M

Allouche, AR

Fakhreddine, K

Chaalan, A

机构：

[1] Beirut Arab Univ, Fac Sci, Beirut, Lebanon

[2] Univ Lyon 1, CNRS, Spectrometrie Ion & Mol Lab, F-69622 Villeurbanne, France

[3] Lebanese Univ, Fac Sci, Nabatieh, Lebanon

来源：

CANADIAN JOURNAL OF PHYSICS | 2000年 / 78卷 / 11期

关键词：

D O I：

10.1139/cjp-78-11-977

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The potential energy has been calculated over a wide range of internuclear distance for 28 lowest molecular states of LiCs, 32 lowest states of NaCs, and 30 lowest states of KCs molecules. This calculation is done by using an ab initio method based on nonempirical pseudopotentials, parameterized l-dependent polarization potentials, and full valence configuration interaction calculations. Extensive tables of energy values versus internuclear distance are displayed at the following address http://hplasim2.univ-lyon1.fr/allouche. Molecular spectroscopic constants have been derived for the bound states with regular shape.

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页码：977 / 988

页数：12

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