高等学校化学学报

高等学校化学学报 ›› 1997, Vol. 18 ›› Issue (11): 1829.

• 论文 • 上一篇    下一篇

超球谐展开的收敛行为He原子的3S态

王沂轩1, 弭云杰1, 邓从豪1, 黄海兰2   

  1. 1. 山东大学化学院, 济南 250100;
    2. 青岛大学师范学院, 青岛 266071
  • 收稿日期:1996-10-06 出版日期:1997-11-24 发布日期:1997-11-24
  • 通讯作者: 王沂轩, 男, 32岁, 博士, 副教授
  • 作者简介:王沂轩, 男, 32岁, 博士, 副教授
  • 基金资助:

    国家自然科学基金;山东大学跨世纪人才基金;山东大学青年基金

On Convergence Patterns of the Hyperspherical Harmonic Expansion for the Excited 3S Helium Atom

WANG Yi-Xuan1, MI Yun-Jie1, DENG Cong-Hao1, HUANG Hai-Lan2   

  1. 1. Institute of Theoretical Chemistry, Shandong University, Jinan 250100;
    2. Normal College, Qingdao University, Qingdao 266071
  • Received:1996-10-06 Online:1997-11-24 Published:1997-11-24

PDF (PC)

摘要： 利用相关函数一超球谐-广义Laguerre函数方法(CFHHGLF),研究He原子3S态波函数向超球谐函数展开的收敛行为．截止于l＝0,1,2的超球谐函数给出的本征能分别与组态相互作用(CI)的s-、sp-、spd-极限能一致．仅用44个超球谐函数,便得到了与精确的HylleraasCI变分能量小数点后第5位的23S、33S和43S态本征能吻合．

关键词: 超球谐, 径向相关, 角度相关, He原子3S态

Abstract: The convergence patterns of the hyperspherical harmonic expansion for theexcited 3Sstates of the helium atom have been studied with the correlation function-hyperspherlcal harmonic-generalized Laguerre function method(CFHHGLF).The convergenteigenenergies at l=0, 1, 2 agree well with the s-limits, sp-limits and spd-limits of the configurationinteraction (CI) method.With only 44 hyperspherical harmonics, the eigenenergies of the 23S,33Sand 43Sstates are the same as those from the exact Hylleraas variational method.

Key words: Hyperspherical harmonic, Radial correlation, Angular correlation, 3S states of the helium atom

中图分类号: 

TrendMD: