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

Correlation-function potential-harmonic and generalized Laguerre function method for directly solving Schrodinger equations of atoms
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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.
出处 《Science China Chemistry》 SCIE EI CAS 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
关键词 hyperspherical COORDINATES POTENTIAL harmonics GENERALIZED LAGUERRE function helium-like THREE-BODY systems. hyperspherical coordinates, potential harmonics, generalized Laguerre function, helium-like three-body systems.
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