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Algebraic Study of the Vibrational Levels and Potential Energy Surface of the Excited Electronic State (C^1A') for S2O
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作者 Xiao-yan Wang Shi-liang Ding +2 位作者 Jin-dong Xie Peng-cheng Wang Wei-gang Zhong 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2006年第1期43-46,共4页
The vibrational levels and potential energy surface of a stable structure for S2O in the excited electronic states C^1A' were carried out with algebraic method. The vibrational spectra were obtained (with total quan... The vibrational levels and potential energy surface of a stable structure for S2O in the excited electronic states C^1A' 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 witb 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. 展开更多
关键词 S2O3 Energy level Potential energy surface
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