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Analytic Potential Energy Function for Doubly Charged Ions HBe2+, HB2+, and HF2+ |
| WANG Fan-hou1,2;ZHU Zheng-he1;YANG Chuan-lu1;JING Fu-qian2 |
| 1Institute of Atomic and Molecular Physics, Chengdu University of Science and Technology, Chengdu 610065
2Laboratory for Shock Wave and Detonation Physics Research, Southwest Institute of Fluid Physics, Chengdu 610003
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| Cite this article: |
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WANG Fan-hou, ZHU Zheng-he, YANG Chuan-lu et al 1998 Chin. Phys. Lett. 15 715-717 |
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Abstract It is well known that the potential curve of ground state for almost all neutral diatomic molecules has only one minimum. However, the doubly charged diatomic ions may have both potential minimum and maximum or singly repulsive branch. In order to describe the potential of this kind of diatomic ions, two of the authors Zhu and Wang have proposed a new analytical potential function with four parameters ai (i=l,. . .,4), and ρ = R- Rmin for those with both minimum and maximum, and ρ= R for those with singly repulsive branch. The present work has derived this new potential function for HBe2+ with Rmin = 0.182 nm, Rmax = 0.335 nm and ΔE = Emax- Emin = 0.84 eV, and for HBe2+ with Rmin = 0.147 nm, Rmax = 0.185 nm and ΔE = Emax - Emin = 0.062 eV. It is found that the potential for HF2+ is one with singly repulsive branch. The dissociation limits, parameters ai(i = 1,. . . , 4 ) , force constants and spectroscopic data of these ions all are given out.
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| Keywords:
33.34.+q
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Published: 01 October 1998
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