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Electronic state and potential energy function for UH^2+
引用本文:王红艳,朱正和,蒙大桥,汪小琳.Electronic state and potential energy function for UH^2+[J].中国物理 B,2003,12(2):154-158.
作者姓名:王红艳  朱正和  蒙大桥  汪小琳
作者单位:Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;China Academy of Engineering Physics, Mianyang 621900, China;China Academy of Engineering Physics, Mianyang 621900, China
基金项目:Project supported by the Major Foundation of China Academy of Engineering Physics (Grant No 2000Z0503).
摘    要:Our theoretical study on UH^{2+}( X^4Σ) using a density functional method shows that its potential energy curve has both minimum and maximum, which is the so-called "energy trapped" molecules. This sort of potential maximum is mainly caused by Coulomb repulsion. We have proposed the perturbation effect of ionic charges to explain the existence of the potential maximum for diatomic ions, and derived an analytic potential energy function has been derived, and the force constants and spectroscopic data are obtained. Finally, the vertical ionization potential for UH^{2+} has been calculated as well.

关 键 词:  氢化铀离子  势能函数  电子态
收稿时间:2002-06-10

Electronic state and potential energy function for UH2+
Wang Hong-Yan,Zhu Zheng-He,Meng Da-Qiao and Wang Xiao-Lin.Electronic state and potential energy function for UH2+[J].Chinese Physics B,2003,12(2):154-158.
Authors:Wang Hong-Yan  Zhu Zheng-He  Meng Da-Qiao and Wang Xiao-Lin
Institution:China Academy of Engineering Physics, Mianyang 621900, China; Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
Abstract:Our theoretical study on UH^{2+}( X^4Σ) using a density functional method shows that its potential energy curve has both minimum and maximum, which is the so-called "energy trapped" molecules. This sort of potential maximum is mainly caused by Coulomb repulsion. We have proposed the perturbation effect of ionic charges to explain the existence of the potential maximum for diatomic ions, and derived an analytic potential energy function has been derived, and the force constants and spectroscopic data are obtained. Finally, the vertical ionization potential for UH^{2+} has been calculated as well.
Keywords:UH^{2+}  potential energy function  electronic state  vertical ionization potential
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