Construction of potential curves for diatomic molecular states by the IPA method

被引:152
作者
Pashov, A
Jastrzebski, W
Kowalczyk, P
机构
[1] Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland
[2] Univ Warsaw, Inst Expt Phys, PL-00681 Warsaw, Poland
关键词
D O I
10.1016/S0010-4655(00)00010-2
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
A program package is presented which utilizes the Inverted Perturbation Approach (IPA) method for construction of potential energy curves of (1)Sigma and (1)Pi states of diatomic molecules directly from the experimental data. In most cases using the constructed IPA potential one can reproduce the experimental energy levels within die accuracy of measurement. The package is successfully tested in case of double minimum potential where the traditional RKR method is not applicable. (C) 2000 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:622 / 634
页数:13
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