Abstract Our theoretical study on UH2+X4$\Sigma$) 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 UH2+has been calculated as well.
Received: 10 June 2002
Revised: 14 October 2002
Accepted manuscript online:
Fund: Project supported by the Major Foundation of China Academy of Engineering Physics (Grant No 2000Z0503).
Cite this article:
Wang Hong-Yan (王红艳), Zhu Zheng-He (朱正和), Meng Da-Qiao (蒙大桥), Wang Xiao-Lin (汪小琳) Electronic state and potential energy function for UH2+ 2003 Chinese Physics 12 154
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