高等学校化学学报

高等学校化学学报 ›› 1996, Vol. 17 ›› Issue (1): 129.

• 研究快报 • 上一篇    下一篇

包括电子间相关势谐函数的CFPHGLF方法

王沂轩, 邓从豪   

  1. 山东大学化学院, 济南 250100
  • 收稿日期:1995-09-04 出版日期:1996-01-24 发布日期:1996-01-24
  • 通讯作者: 王沂轩,男,31岁,博士,副教授.
  • 作者简介:王沂轩,男,31岁,博士,副教授.
  • 基金资助:

    国家自然科学基金

CFPHGLF Method Including the Two-body Potential Harmonics

WANG Yi-Xuan, DENG Cong-Hao   

  1. Institute of Theoreticl Chemistry, Shandong University, Jinan 250100
  • Received:1995-09-04 Online:1996-01-24 Published:1996-01-24

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关键词: 超球坐标, 势谐函数, 快速收敛

Abstract: Introducing the potential harmonics for the two-body correlation,we modified thecorrelation-function potential-harmonic generalized Laguerre function method (CFPHGLF)previously proposed by us.The new CFPHGLFyields much more accurate eigenenergy forthe ground state 1lS,and slightly better eigenenergies for the excited states 2 lS,3 lS and 4 lSof the helium atom than the original CFPHGLF.

Key words: Hyperspherical coordinates, Potential harmonics, Fast convergence

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