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| Studies on the analytical potential energy function of diatomic molecular ion XY~+ using variational method | |
| 作者姓名： | LIU Guoyue SUN Weiguo & FENG Hao . Institute of Physics Sichuan University Chengdu China . College of Chemical Engineering Sichuan University Chengdu China . Mianyang Teacher抯 College Mianyang China Correspondence should be addressed to Sun Weiguo |
| 基金项目： | 国家自然科学基金，教育部自然科学基金 |
| 摘 要： | It is well-known that the accurate behavior of potential energy function of molecular ion plays an important role in the studies such as solution chemistry, atmosphere chemistry, nebular medium, plasma physics, and gun powder, etc.1, 2]. The values of potential energy function of diatomic molecular ion could significantly influence the optical efficiency of laser pump using ion vapors as working substrate3]. The ionic potential is very important for the studies on low-energy ion-atom collisi… |
Studies on the analytical potential energy function of diatomic molecular ion XY+ using variational method |
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| LIU Guoyue,Sun Weiguo,FENG Hao.Studies on the analytical potential energy function of diatomic molecular ion XY~+ using variational method[J].Science in China(Physics Astronomy),2004,47(2). | |
| Authors: | LIU Guoyue Sun Weiguo FENG Hao |
| Institution: | 1. Institute of Physics, Sichuan University, Chengdu 610065, China;Mianyang Teacher's College, Mianyang 621000, China 2. Institute of Physics, Sichuan University, Chengdu 610065, China;College of Chemical Engineering, Sichuan University, Chengdu 610065, China 3. Institute of Physics, Sichuan University, Chengdu 610065, China |
| Abstract: | 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 A2P state of CO+, the X2+g state of 2+Li, the X2+g state of 2,+Hethe 12Pu state of ,+2Nathe A2Pu state of ,+2N the X1S+ state of KrH+, the X2S+ state of SiO+ and the A2P 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 mechanical ab initio potentials in the ionic asymptotic and dissociation regions. |
| Keywords: | potential energy diatomic ion electronic state variational method |
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