中国物理B ›› 2003, Vol. 12 ›› Issue (2): 154-158.doi: 10.1088/1009-1963/12/2/306
蒙大桥1, 汪小琳1, 王红艳2, 朱正和2
Wang Hong-Yan (王红艳)a, Zhu Zheng-He (朱正和)a, Meng Da-Qiao (蒙大桥)b, Wang Xiao-Lin (汪小琳)b
摘要:
Our theoretical study on UH2+X4$\varSigma$) 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.
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