Variational calculation of the energy for helium-like ground state from Z=2 to 5
文献类型：期刊论文
| 作者 | Wang, ZW; Guan, XX |
| 刊名 | JOURNAL OF THE CHINESE CHEMICAL SOCIETY
 |
| 出版日期 | 2001-06-01 |
| 卷号 | 48期号:3页码:515-520 |
| 关键词 | helium-like ground state energy variational calculation |
| 英文摘要 | The non-relativistic energies of the ground states in the helium-like systems from Z = 2 to 5 are calculated by using three different basis functions, the Slater-type, the ordered coordinates and the modified angular wave functions in which the angular variational parameters are included. In calculations with the latter two types of basis functions, we only used 168 terms in eight l components. The best value of energy for neutral helium atom in this work is obtained by using the modified angular wave functions. It is determined to be -2.9037161 a.u., which is about 0.00017 a.u. lower than that obtained with the 221-term Slater-type expansions. In cases of the helium-like ions from Z = 3 to 5, the comparison of our calculated results using these three types of basis functions indicates that the results obtained with the modified angular wave functions are better than those with the other two types of basis functions. The convergence pattern in energy with the increasing number of terms in the angular partial wave functions is also analyzed. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | LITHIUM ISOELECTRONIC SEQUENCE ; 2-ELECTRON ATOMS ; 1S(2)2S STATES ; FINE-STRUCTURE |
| 收录类别 | SCI ; ISTP |
| 语种 | 英语 |
| WOS记录号 | WOS:000170616100036 |
| 公开日期 | 2015-12-01 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/8559]  |
| 专题 | 武汉物理与数学研究所_2011年以前论文发表（包括2011年） |
| 作者单位 | 1.Liaoning Normal Univ, Dept Phys, Dalian 116029, Peoples R China 2.Chinese Acad Sci, Wuhan Inst Phys & Math, Wuhan 430071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, ZW,Guan, XX. Variational calculation of the energy for helium-like ground state from Z=2 to 5[J]. JOURNAL OF THE CHINESE CHEMICAL SOCIETY,2001,48(3):515-520. |
| APA | Wang, ZW,&Guan, XX.(2001).Variational calculation of the energy for helium-like ground state from Z=2 to 5.JOURNAL OF THE CHINESE CHEMICAL SOCIETY,48(3),515-520. |
| MLA | Wang, ZW,et al."Variational calculation of the energy for helium-like ground state from Z=2 to 5".JOURNAL OF THE CHINESE CHEMICAL SOCIETY 48.3(2001):515-520. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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