Dissociation energy of diatomic molecules

被引:3
|
作者
Kaur, S [1 ]
Mahajan, CG [1 ]
机构
[1] Panjab Univ, Ctr Adv Study Phys, Chandigarh 160014, India
来源
PRAMANA-JOURNAL OF PHYSICS | 1998年 / 50卷 / 05期
关键词
dissociation energy; four-parameter potential; anharmonicity constant;
D O I
10.1007/BF02847369
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The dissociation energy of twelve diatomic molecules has been determined by fitting four-parameter potential function U(r) = D-e[[1 - exp(-b(r - r(e))}]/[1 - C exp(-b(r - r(e))]](2) to the true Rydberg-Klein-Rees (RKR) curves for their fifteen electronic states using the mean square deviation as the criterion for the selection of the best fit. Average deviation of D-e has been found to be 2.7% as compared to 20.5% obtained with Lippincott's potential function for these molecules. In addition the anharmonocity constant omega(e)x(e) has also been calculated for the same electronic states yielding average mean deviation 8.9%.
引用
收藏
页码:397 / 403
页数:7
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