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The Molecular Structure and Potential Energy Function for Ne-HF System
作者姓名:HUANG Zheng a  RAN Ming b  ZHU Zheng he b
作者单位:a. Department of Applied Physics Southwest Jiaotong University,Chengdu 610031,China; b. Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065,China
摘    要:1IntroductionTheinfluenceofrare-gasatomstothevibrationalpopulationofHFisimportanttothechemicalovertoneHFlasers.Inpresentpaper...


The Molecular Structure and Potential Energy Function for Ne-HF System
HUANG Zheng a,RAN Ming b,ZHU Zheng he b.The Molecular Structure and Potential Energy Function for Ne-HF System[J].Journal of Atomic and Molecular Physics,1999,16(3).
Authors:HUANG Zheng  RAN Ming  ZHU Zheng-he
Abstract:The present paper has optimized NeHF(X1Σ+) System using CID/6-311G(d) method, found two kinds of equilibrium structures, linear NeHF and NeFH, calculated their equilibrium geometries, dissociation energies and force constants, and then, derived the analytical potential energy function for this van der Waals system.
Keywords:Ne-HF    ab initio  Many-body expansion theory  Analytical potential energy function
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