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化学学报
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化学学报 ›› 1996, Vol. 54 ›› Issue (5): 417-421.    下一篇

研究论文

超球坐标下Li原子^4S态Schrodinger方程的直接解

王沂轩;邓从豪   

  1. 山东大学理论化学研究室
  • 发布日期:1996-05-15

Direct solution of the Schrodinger equation for the ^4S states of lithium atom in hyperspherical coordinates

WANG YIXUAN;DENG CONGHAO   

  • Published:1996-05-15

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被引次数

3 | 1

以九维超球谐为投影函数, 构造置换群S3一维不可约表示的全反称基函数。应用HHGLF和CFHHGLF方法直接求解Li原子^4S态的Schrodinger方程。由HHGLF方法得到的本征能量与精确变分数值相差较远; CFHHGLF方法给出了与变分值相近的结果。

关键词: 锂原子, 超球坐标, 超球谐, 广义LAGUERRE函数

The total antisymmetric basis functions are constructed for irreducible representation of S3 permutation group from nine- dimensional hyperspherical harmonics. We use the HHGLF and CFHHGLF method to directly solve the Schrodinger equation for ^4S states of lithium atom, respectively. The eigenenergy obtained by the HHGLF is far from the variational value, however, that obtained by the CFHHGLF is near the variational one.

Key words: LITHIUM ATOM

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