Correlation-function potential-harmonic and generalized Laguerre function method for directly solving Schrodinger equations of atoms  

作　　者：王沂轩 邓从豪 

机构地区：[1]Institute of Theoretical Chemistry, Shandong University, Jinan 250100, China

出　　处：《Science China Chemistry》1996年第3期318-326,共9页中国科学（化学英文版）

基　　金：Project supported by the National Natural Science Foundation of China

摘　　要：The potential-harmonic and generalized Laguerre function method (PHGLF) was modified into the correlation-function potential-harmonic and generalized Laguerre function method (CFPHGLF). The eigenenergies for 21S, 31S and 41S states of helium-like systems from the CFPHGLF are much more accurate than those from the previous PHGLF, but the eigenenergy for the 11S is not as good as that from the PHGLF method. The results indicate that the electron-nucleus cusp plays more important role than the electron-electron cusp and the cluster structure for the loosely bound excited states, and that the electron-electron cusp is absolutely essential for the tightly bound ground state.The potential-harmonic and generalized Laguerre function method (PHGLF) was modified into the correlation-function potential-harmonic and generalized Laguerre function method (CFPHGLF). The eigenenergies for 21S, 31S and 41S states of helium-like systems from the CFPHGLF are much more accurate than those from the previous PHGLF, but the eigenenergy for the 11S is not as good as that from the PHGLF method. The results indicate that the electron-nucleus cusp plays more important role than the electron-electron cusp and the cluster structure for the loosely bound excited states, and that the electron-electron cusp is absolutely essential for the tightly bound ground state.

关 键 词：hyperspherical COORDINATES POTENTIAL harmonics GENERALIZED LAGUERRE function helium-like THREE-BODY systems. 

分 类 号：O641[理学—物理化学]