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Analytical Potential Energy Function,Spectroscopic Constants and Vibrational Levels for A1Eu+ State of Dimer 7Li2
  • ISSN号：0253-6102
  • 期刊名称：《理论物理通讯：英文版》
  • 时间：0
  • 分类：O571.2[理学—粒子物理与原子核物理;理学—物理]
  • 相关基金：The project supported by National Natural Science Foundation of China under Grant Nos.10574039 and 10174019
关键词： ANALYTIC, potential, ENERGY, function, harmonic, frequency, DISSOCIATION, ENERGY, VIBRATIONAL, level, classica
中文摘要：

【正】 The symmetry-adapted-duster configuration-interaction method is used to investigate the spectroscopicproperties of 7Li2（A1∑u+） over the internuclear distance ranging from 2.4ao to 37ao.The complete potential energycurves are calculated at numbers of basis sets.All the ab initio calculated points are fitted to the analytic MurrellSorbie function and then employed to compute the spectroscopic constants.By comparison,the spectroscopic constantsreproduced by the potential attained at D95（3df,3pd） are found to be very close to the experiments,ad the values （Te,De,Re,ωe,ωeχe,αe and Be） are of 1.732 93 eV,1.161 36 eV,0.313 27 nm,251.95 cm-1,1.623 cm-1,0.005 35 cm-1,and0.490 cm-1,respectively.With the potential obtained at D95（3df,3pd）,the totally 75 vibrational states are found whenJ=0.The vibrational levels,the classical turning points and the inertial rotation constants of the first 68 vibrationalstates are calculated for the first time and compared with the available measurements.Good agreement is obtained.The centrifugal distortion constants of the first 32 vibrational states are also reported for the first time.The reasonabledissociation limit for 7Li2（A1∑u+） is deduced using the calculated results at present.

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期刊信息
  • 《理论物理通讯：英文版》
  • 中国科技核心期刊
  • 主管单位:中国科学院
  • 主办单位:中科院理论物理所 中国物理学会
  • 主编：孙昌浦
  • 地址：北京2735邮政信箱 中国科学院理论物理研究所编辑部
  • 邮编：100190
  • 邮箱：ctp@itp.ac.cn
  • 电话：010-62551495 62541813 62550630
  • 国际标准刊号：ISSN：0253-6102
  • 国内统一刊号：ISSN：11-2592/O3
  • 邮发代号:
  • 获奖情况:
  • 首届国家期刊奖,中国科学院优秀期刊特别奖,国家期刊奖百种重点期刊,中国期刊方阵“双高”期刊
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  • 被引量:342