Potential energy surfaces for low-lying electronic states of SO2
文献类型：期刊论文
| 作者 | Li Anyang; Suo Bing; Wen Zhenyi; Wang Yubin |
| 刊名 | SCIENCE IN CHINA SERIES B-CHEMISTRY
 |
| 出版日期 | 2006-08-01 |
| 卷号 | 49页码:289-295 |
| 关键词 | cross of PES MRPT2 SO2 (sulfur dioxide) |
| ISSN号 | 1006-9291 |
| DOI | 10.1007/s11426-006-0289-5 |
| 英文摘要 | The potential energy surfaces for the nine low-lying electronic states of SO2 have been constructed by using the multi-reference second order perturbation theory (MRPT2) with the basis set cc-pVTZ. The optimized geometries and the adiabatic excitation energies of these states are in good agreement with experiments and previous calculations. The crossings and avoided crossings displayed in the potential energy surfaces are expounded. |
| WOS关键词 | EMISSION PUMPING SPECTROSCOPY ; EXCITED VIBRATIONAL-SPECTRUM ; GROUND-STATE ; SULFUR-DIOXIDE ; QUANTUM CALCULATIONS ; RATE COEFFICIENTS ; LEVEL STRUCTURE ; (B)OVER-TILDE(3)A(2) ; SYSTEM |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000240332800001 |
| 出版者 | SCIENCE CHINA PRESS |
| 源URL | [http://119.78.100.186/handle/113462/26041]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Wang Yubin |
| 作者单位 | 1.NW Univ Xian, Inst Modern Phys, Xian 710069, Peoples R China 2.NW Univ Xian, Dept Chem, Shanxi Key Lab Physicoinorgan Chem, Xian 710069, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li Anyang,Suo Bing,Wen Zhenyi,et al. Potential energy surfaces for low-lying electronic states of SO2[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2006,49:289-295. |
| APA | Li Anyang,Suo Bing,Wen Zhenyi,&Wang Yubin.(2006).Potential energy surfaces for low-lying electronic states of SO2.SCIENCE IN CHINA SERIES B-CHEMISTRY,49,289-295. |
| MLA | Li Anyang,et al."Potential energy surfaces for low-lying electronic states of SO2".SCIENCE IN CHINA SERIES B-CHEMISTRY 49(2006):289-295. |
入库方式： OAI收割
来源：近代物理研究所
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