| The eigenenergies for ~3S excited states of the helium atom with CFPHGLF method |
| |
| 作者姓名： | WANG Yi-Xuan DENG Cong-HaoInstitute of Theoretical Chemistry Shandong University Jinan Shandong China |
| |
| 作者单位： | WANG，Yi-Xuan DENG，Cong-HaoInstitute of Theoretical Chemistry，Shandong University，Jinan，Shandong 250100，China |
| |
| 基金项目： | Project supported by the National Natural Science Foundation of China and by the Natural Science Foundation for Youth of Shandong University. |
| |
| 摘 要： | The matrix elements of the correlation function between symmetric potential harmonics were first simplified into the analytical summation of the grand angular momentum. The correlation-function potential-harmonic and generalized Laguerre function method (CFPHGLF) proposed by us recently was then applied to directly solve the Schrodinger equation for n3S(n=2-5) excited states of the helium atom. With only 12 PHs, the convergent eigenenergies of 23S, 33S, 43S and 53S states were 2.17427, 2.06849, 2.03644, 2.02257 Eh, respectively. The errors only were 0.00096, 0.00020, 0.00007, 0.00005 Eh, when compared with the exact Hylleraas variational results respectively.
|
The eigenenergies for ~3S excited states of the helium atom with CFPHGLF method |
| |
| WANG,Yi-Xuan DENG,Cong-HaoInstitute of Theoretical Chemistry,Shandong University,Jinan,Shandong ,China.The eigenenergies for ~3S excited states of the helium atom with CFPHGLF method[J].Chinese Journal of Chemistry,1997,15(1):13-16. |
| |
| Authors: | WANG Yi-Xuan DENG Cong-HaoInstitute of Theoretical Chemistry Shandong University Jinan Shandong China |
| |
| Institution: | WANG,Yi-Xuan DENG,Cong-HaoInstitute of Theoretical Chemistry,Shandong University,Jinan,Shandong 250100,China |
| |
| Abstract: | The matrix elements of the correlation function between symmetric potential harmonics were first simplified into the analytical summation of the grand angular momentum. The correlation-function potential-harmonic and generalized Laguerre function method (CFPHGLF) proposed by us recently was then applied to directly solve the Schrodinger equation for n3S(n=2-5) excited states of the helium atom. With only 12 PHs, the convergent eigenenergies of 23S, 33S, 43S and 53S states were 2.17427, 2.06849, 2.03644, 2.02257 Eh, respectively. The errors only were 0.00096, 0.00020, 0.00007, 0.00005 Eh, when compared with the exact Hylleraas variational results respectively. |
| |
| Keywords: | Hyperspherical coordinates potential harmonics helium atom |
| 本文献已被 CNKI 等数据库收录！ |
|
