A method to fast determine the coupling coefficients in CI calculation
文献类型：期刊论文
| 作者 | Gan, ZT; Su, KH; Wang, YB; Wen, ZY |
| 刊名 | SCIENCE IN CHINA SERIES B-CHEMISTRY
 |
| 出版日期 | 1999-02-01 |
| 卷号 | 42页码:43-52 |
| 关键词 | configuration interaction unitary group approach coupling coefficient |
| ISSN号 | 1006-9291 |
| 英文摘要 | A new algorithm for evaluating the coupling coefficients and the addresses of molecular integrals in configuration interaction (CI) calculations is presented, which leads to an improved CI calculation program CGUGA. The validity and efficiency of the new code are compared with other programs, such as MELD and GAUSSIAN-94. |
| WOS关键词 | CONFIGURATION-INTERACTION |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000078667800007 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://119.78.100.186/handle/113462/36130]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Wen, ZY |
| 作者单位 | NW Univ Xian, Inst Modern Phys, Xian 710069, Peoples R China |
| 推荐引用方式 GB/T 7714 | Gan, ZT,Su, KH,Wang, YB,et al. A method to fast determine the coupling coefficients in CI calculation[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,1999,42:43-52. |
| APA | Gan, ZT,Su, KH,Wang, YB,&Wen, ZY.(1999).A method to fast determine the coupling coefficients in CI calculation.SCIENCE IN CHINA SERIES B-CHEMISTRY,42,43-52. |
| MLA | Gan, ZT,et al."A method to fast determine the coupling coefficients in CI calculation".SCIENCE IN CHINA SERIES B-CHEMISTRY 42(1999):43-52. |
入库方式： OAI收割
来源：近代物理研究所
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