%0 Journal Article
%T Local potential energy surface and vibration analysis for the S2O molecule<br>S2O分子的局域势能面和振动光谱的解析
%A Han Hui-Xian
%A Peng Qian
%A Wen Zhen-Yi
%A Wang Yu-Bin
%A <br>韩慧仙
%A 彭 谦
%A 文振翼
%A 王育彬
%J 物理学报
%D 2005
%I 
%X Analytic local potential energy surfaces for S 2O 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.
%K disulfur monoxide (S2O)
%K potential energy surface
%K vibration energy levels
%K MRCISD
%K MRPT2<br>S2O
%K 势能面
%K 能谱
%K MRCISD
%K MRPT2
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=A2308D9E60436AA1&yid=2DD7160C83D0ACED&vid=318E4CC20AED4940&iid=CA4FD0336C81A37A&sid=46CB27789995047D&eid=656F8C8401D91023&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=36