Potential energy curves for the X-1 Sigma(+)(g), B-1 Delta(g) and B'(1) Sigma(+)(g) states of C-2 using MRCI and approximate Cl methods
文献类型：期刊论文
| 作者 | AnYang, Ll; Yubin, Wang; YuSheng, Dou; ZhenYi, Wen |
| 刊名 | SCIENCE IN CHINA SERIES B-CHEMISTRY
 |
| 出版日期 | 2007-10-01 |
| 卷号 | 50页码:614-619 |
| 关键词 | C-2 MRCI potential energy curves non-parallelilty errors |
| ISSN号 | 1006-9291 |
| DOI | 10.1007/S11426-007-0058-0 |
| 英文摘要 | and approximate Cl methods, and are benchmarked against the calculations of full configuration interaction (FCI). The results obtained by MRCI method agree with the FCI very well, and even are accurate enough to compare other approximate methods as benchmark, when the calculations of FCI are not feasible. The approximate Cl methods mentioned in this paper are reliable for treating chemical problems. |
| WOS关键词 | COUPLED-CLUSTER METHODS ; EXCITED ELECTRONIC STATES ; CONTRACTED CI METHOD ; EQUATIONS ; MOMENTS |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000250583800006 |
| 出版者 | SCIENCE CHINA PRESS |
| 源URL | [http://119.78.100.186/handle/113462/27717]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | ZhenYi, Wen |
| 作者单位 | 1.Chongqing Univ Psot & Telecommun, Inst Bioinformat, Chongqing 400065, Peoples R China 2.NW Univ Xian, Inst Modern Phys, Xian 710069, Peoples R China 3.Nicholls State Univ, Dept Phys Sci, Thibodaux, LA 70310 USA |
| 推荐引用方式 GB/T 7714 | AnYang, Ll,Yubin, Wang,YuSheng, Dou,et al. Potential energy curves for the X-1 Sigma(+)(g), B-1 Delta(g) and B'(1) Sigma(+)(g) states of C-2 using MRCI and approximate Cl methods[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2007,50:614-619. |
| APA | AnYang, Ll,Yubin, Wang,YuSheng, Dou,&ZhenYi, Wen.(2007).Potential energy curves for the X-1 Sigma(+)(g), B-1 Delta(g) and B'(1) Sigma(+)(g) states of C-2 using MRCI and approximate Cl methods.SCIENCE IN CHINA SERIES B-CHEMISTRY,50,614-619. |
| MLA | AnYang, Ll,et al."Potential energy curves for the X-1 Sigma(+)(g), B-1 Delta(g) and B'(1) Sigma(+)(g) states of C-2 using MRCI and approximate Cl methods".SCIENCE IN CHINA SERIES B-CHEMISTRY 50(2007):614-619. |
入库方式： OAI收割
来源：近代物理研究所
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