Analytic Potential Energy Function for Doubly Charged Ions HBe^(2+), HB^(2+), and HF^(2+)

王藩侯; 朱正和; 杨传路; 经福谦

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Analytic Potential Energy Function for Doubly Charged Ions HBe^(2+), HB^(2+), and HF^(2+)

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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),andρ=R-R_(min) for those with both minimum and maximum,andρ=R for those with singly repulsive branch.The present work has derived this new potential function for HBe^(2+)with R_(min)=0.182 nm,R_(max)=0.335 nm andΔE=E_(max)-E_(min)=0.84 eV,and for HBe2+with R_(min)=0.147 nm,R_(max)=0.185 nm andΔE=E_(max)-E_(min)=0.062 eV.It is found that the potential for HF^(2+)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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《中国物理快报：英文版》 |1998年第10期|P.715-717|共3页
作者
王藩侯; 朱正和; 杨传路; 经福谦;
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作者单位

Institute of Atomic and Molecular Physics Chengdu University of Science and Technology Chengdu 610065Laboratory for Shock Wave and Detonation Physics Research Southwest Institute of Fluid Physics Chengdu 610003;

Institute of Atomic and Molecular Physics Chengdu University of Science and Technology Chengdu 610065;

Institute of Atomic and Molecular Physics Chengdu University of Science and Technology Chengdu 610065;

Laboratory for Shock Wave and Detonation Physics Research Southwest Institute of Fluid Physics Chengdu 610003;

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原文格式 PDF
正文语种 chi
中图分类有机化学;
关键词
branch; potential; neutral;

Analytic Potential Energy Function for Doubly Charged Ions HBe^(2+), HB^(2+), and HF^(2+)

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