Chem. J. Chinese Universities ›› 2006, Vol. 27 ›› Issue (2): 303.

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Multireference Theoretical Calculation of Photodissociation of SSCH3

YAN Bing1, PAN Shou-Fu1, WANG Zhi-Gang1, YU Jun-Hua2   

  1. 1. Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China;
    2. Tunable Laser Technology National Key Laboratory, Harbin Institute of Technology, Harbin 150001, China
  • Received:2005-02-28 Online:2006-02-10 Published:2006-02-10
  • Contact: PAN Shou-Fu,E-mail: Pansjlu@yahoo.com.cn

Abstract:

Abstract The vertical excitation energies of SSCH3 were calculated by using multireference MΦller-Plesset theory. The adiabatic and diabatic potential-energy curves of the two types of bond cleavage, S—C and S—S, were calculated with multireference MΦller-Plesset theory, the photodissociation dynamics of SSCH3 under 193 nm laser was investigated and the results are in good agreement with those of the previous experiments.

Key words: KeywordsPhotodissociation; Multireference MΦller-Plesset theory; Vertical excitation energy; Adiabatic and diabatic potentialenergy curves

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