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Algebraic Study of the Vibrational Levels and Potential Energy Surface of the Excited Electronic State (C1A') for S2O
Xiao-yan Wang,Shi-liang Ding,Peng-cheng Wang* ,Jin-dong Xie,Wei-gang Hong
Author NameAffiliation
Xiao-yan Wang Department of Radiology,Taishan Medical School,Taian 271000,China 
Shi-liang Ding School of Physics and Microelectronics,Shandong University,Ji'nan 250100,China 
Peng-cheng Wang* Department of Radiology,Taishan Medical School,Taian 271000,China 
Jin-dong Xie Department of Radiology,Taishan Medical School,Taian 271000,China 
Wei-gang Hong Department of Radiology,Taishan Medical School,Taian 271000,China 
Abstract:
The vibrational levels and potential energy surface of a stable structure for S2O in the excited electronic states C1A' were carried out with algebraic method. The vibrational spectra were obtained (with total quantum number v=20) by fitting 30 spectra data. The fitted rms(root mean square) error based on the Hamiltonian with 9 parameters was 2.40 cm-1. The dissociation energy and force constant were also determined by the analytical potential energy surface. The method is proved to be effective by comparing these results with the experimental data.
Key words:  S2O, Energy level, Potential energy surface
FundProject:
S2O激发态(C1A')振动光谱及势能面的一种代数研究
王晓艳,丁世良,王鹏程*,谢晋东,仲伟纲
摘要:
利用代数方法研究了非对称弯曲三原子分子S2O分子处于C1A'电子态的能谱及其稳定构型下的势能面,通过对30条光谱数据的拟和得到的rms误差为2.40 cm-1.结果表明,利用此代数Hamiltonian很好的实现了能级再现,它预测了振动总量子数达到20的全部振动能级,同时我们计算了分子的解离能与力常数.通过与实验值比较证明了这种方法在计算这类分子的有效性.
关键词:  S2O  能级  势能面
DOI:10.1360/cjcp2006.19(1).40.4
分类号: