Studies on the analytical potential energy function of diatomic molecular ion XY+ using variational method

被引：0
作者：
Guoyue Liu
Weiguo Sun
Hao Feng
机构：
[1] Sichuan University,Institute of Physics
[2] Sichuan University,College of Chemical Engineering
[3] Mianyang Teacher's College,undefined
来源：
Science in China Series G: Physics and Astronomy | 2004年 / 47卷
关键词：
potential energy; diatomic ion; electronic state; variational method;
D O I：
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学科分类号：
摘要：
A new analytical potential energy function for diatomic molecular ion XY+ is proposed based on the energy consistent method (ECM). The Coulomb potential included in the new ionic potential contains multipole corrections, converges quickly and is variationally, changeable. The new potential and the ECM are applied to variationally studying the potential energies of eight electronic states of several diatomic molecular ions: the A2π state of CO+, the X2∑g+ state of Li2+, the X2∑g+ state of He2+, the 12∏u state of Na2+, the A2∏u state of N2+, the X1∑+ state of KrH+, the X2∑+ state of SiO+ and the A2π state of SO+ ion. The present results agree excellently with the experiment-based Rydberg-Klein-Rees (RKR) potentials, and are superior to the commonly used Huxley-Murrell-Sorbie (HMS) analytical potentials, and are better in some cases than some quantum mechanicalab initio potentials in the ionic asymptotic and dissociation regions.
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页码：154 / 164
页数：10
相关论文
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