| Exact Radial Solution of the Non-relativistic Schr?dinger Equation for the Helium Atom with the Potential Harmonic Method |
| |
| 引用本文： | WANG Yi-xuan,BU Yu-xiang,LIU Cheng-bu. Exact Radial Solution of the Non-relativistic Schr?dinger Equation for the Helium Atom with the Potential Harmonic Method[J]. 高等学校化学研究, 2000, 16(3): 213-217 |
| |
| 作者姓名： | WANG Yi-xuan BU Yu-xiang LIU Cheng-bu |
| |
| 作者单位： | Faculty of Chemistry,Shandong University,Jinan 250100,P.R.China |
| |
| 基金项目： | 中国科学院资助项目，29703003， |
| |
| 摘 要： | We proposed a simple potential harmonic(PH) scheme for calculating the non-relativistic radial correlation energies of atomic systems.The scheme was applied to the low-lying n1S(n=1,2) and n3S(n=2,3) states of the helium atom.The results exhibit a very stable convergence characterization in both the angular and radial directions with PH and generalized Laguerre functions(GLF) respectively,even though the method is non-variational one.The ninth significant figure of the non-relativistic radial energy(NRE) calculated for the ground state exactly agrees with that of the most accurate literature data from the modified configuration interaction method.The convergent NRE′s for the excited states 21S,23S and 33S with the similar accuracy were also obtained.
|
| 关 键 词： | Potential harmonic Radial limit |
Exact Radial Solution of the Non-relativistic Schr?dinger Equation for the Helium Atom with the Potential Harmonic Method |
| |
| WANG Yi-xuan,BU Yu-xiang,LIU Cheng-bu. Exact Radial Solution of the Non-relativistic Schr?dinger Equation for the Helium Atom with the Potential Harmonic Method[J]. Chemical Research in Chinese University, 2000, 16(3): 213-217 |
| |
| Authors: | WANG Yi-xuan BU Yu-xiang LIU Cheng-bu |
| |
| Abstract: | We proposed a simple potential harmonic(PH) scheme for calculating the non-relativistic radial correlation energies of atomic systems.The scheme was applied to the low-lying n1S(n=1,2) and n3S(n=2,3) states of the helium atom.The results exhibit a very stable convergence characterization in both the angular and radial directions with PH and generalized Laguerre functions(GLF) respectively,even though the method is non-variational one.The ninth significant figure of the non-relativistic radial energy(NRE) calculated for the ground state exactly agrees with that of the most accurate literature data from the modified configuration interaction method.The convergent NRE′s for the excited states 21S,23S and 33S with the similar accuracy were also obtained. |
| |
| Keywords: | Schr(o)dinger equation Helium atom |
| 本文献已被 CNKI 等数据库收录！ |
