Local potential energy surface and vibration analysis for the S2O molecule
文献类型：期刊论文
| 作者 | Han, HX; Peng, Q; Wen, ZY; Wang, YB |
| 刊名 | ACTA PHYSICA SINICA
 |
| 出版日期 | 2005 |
| 卷号 | 54页码:78-84 |
| 关键词 | disulfur monoxide (S2O) potential energy surface vibration energy levels MRCISD MRPT2 |
| ISSN号 | 1000-3290 |
| 英文摘要 | Analytic local potential energy surfaces for S2O in the ground state and the excited states were calculated at MRCISD and MRPT2 levels. Further, the data points selected were fitted to a polynomial force field and the calculations for the interaction of vibration configuration were carried out. Then, the analyses of normal vibration modes and vibration energy levels were performed. The local potential energy surfaces were improved by adjusting a few force constants. The mean-square roots of the deviation between computed and available experimental vibration spectra for the ground state and the excited state are 38.52cm(-1) and 6.44cm(-1) respectively. |
| WOS关键词 | DISULFUR MONOXIDE S2O ; MICROWAVE-SPECTRUM ; ROTATIONAL ANALYSIS ; SPECTROSCOPY ; FORMALDEHYDE ; (S2O)-O-18 ; SYSTEM ; NU-1 ; BAND ; CI |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000226005100014 |
| 出版者 | CHINESE PHYSICAL SOC |
| 源URL | [http://119.78.100.186/handle/113462/25717]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Han, HX |
| 作者单位 | 1.NW Univ Xian, Inst Modern Phys, Xian 710069, Peoples R China 2.NW Univ Xian, Dept Chem, Xian 710069, Peoples R China |
| 推荐引用方式 GB/T 7714 | Han, HX,Peng, Q,Wen, ZY,et al. Local potential energy surface and vibration analysis for the S2O molecule[J]. ACTA PHYSICA SINICA,2005,54:78-84. |
| APA | Han, HX,Peng, Q,Wen, ZY,&Wang, YB.(2005).Local potential energy surface and vibration analysis for the S2O molecule.ACTA PHYSICA SINICA,54,78-84. |
| MLA | Han, HX,et al."Local potential energy surface and vibration analysis for the S2O molecule".ACTA PHYSICA SINICA 54(2005):78-84. |
入库方式： OAI收割
来源：近代物理研究所
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