Equivalence of the three empirical potential energy models for diatomic molecules

被引：99

作者：

Wang, Ping-Quan ^{[1
]}

Zhang, Lie-Hui ^{[1
]}

Jia, Chun-Sheng ^{[1
]}

Liu, Jian-Yi ^{[1
]}

机构：

[1] SW Petr Univ, State Key Lab Oil & Gas Reservoir Geol & Exploita, Chengdu 610500, Peoples R China

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 2012年 / 274卷

基金：

中国国家自然科学基金; 美国国家科学基金会;

关键词：

Empirical diatomic potential function; Manning-Rosen potential; Deng-Fan potential; Schioberg potential; Morse potential; SCHRODINGER-EQUATION; ANALYTICAL APPROXIMATIONS; QUANTUM-MECHANICS; FORCE-FIELD; MORSE; SYMMETRY; SPECTRUM; DISTANCE;

D O I：

10.1016/j.jms.2012.03.005

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

It is found that the Manning-Rosen potential, Schioberg potential and Deng-Fan potential are the same solvable empirical potential energy function for diatomic molecules. We calculate the anharmonicity omega(e)x(e) and vibrational rotational coupling parameter alpha(e) for 16 molecules by choosing the experimental values of the dissociation energy D-e, equilibrium bond length r(e) and vibrational frequency omega(e) as inputs. The results show that the Manning-Rosen potential, Deng-Fan potential and Schioberg potential are not better than the traditional Morse potential. (c) 2012 Published by Elsevier Inc.

引用

页码：5 / 8

页数：4

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