高等学校化学学报

高等学校化学学报 ›› 1995, Vol. 16 ›› Issue (8): 1283.

• 研究快报 • 上一篇    下一篇

势谐函数展开方法下的快速收敛研究

王沂轩, 邓从豪   

  1. 山东大学化学院, 济南, 250100
  • 收稿日期:1995-03-09 出版日期:1995-08-24 发布日期:1995-08-24
  • 通讯作者: 王沂轩,男,30岁,博士,副教授.
  • 作者简介:王沂轩,男,30岁,博士,副教授.
  • 基金资助:

    国家自然科学基金

Fast Convergent Investigation in Potential-harmonic Expansion Scheme

WANG Yi-Xuan, DENG Cong-Hao   

  1. Theoretical Chemistry Laboratory, Shandong University, Jinan, 250100
  • Received:1995-03-09 Online:1995-08-24 Published:1995-08-24

PDF (PC)

被引次数

1

关键词: 超球坐标, 势谐函数, 广义Laguerre函数(GLF)

Abstract: We present the correlation-function potential-harmonic generalized Laguerre function expansion method(CFPHGLF)for directly solving the Schrodinger equation for heliumlike system.In CFPHGLF scheme with the simplest spatially symmetric correlation function exp[-Z(r1+r2)],the eigenenergies for the excited(n 1S,n=2-4)states agree well with the variational ones,while the ground state eigenenergy far from the variational one. The results for the excited states are also comparable to the CFHHGLF calculation of the full basis set with the same correlation function.

Key words: Hyperspherical coordinates, Potential-harmonic, Generalized laguerre function (GLF)

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