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物理学报  2006 

Dissociation of sulfur trimer S3:the nonadiabatic process
S3解离中的非绝热过程

Keywords: S3,ab initio calculation,predissociation,nonadiabatic
S3,
,从头算,,预解离,,非绝热

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Abstract:

The dissociation process of the sulfur trimer S_3 in the low-lying excited states is investigated using ab initio method in this work. The dissociation limits of S_3 are constructed. The calculation of transition moment between certain states indicates that the nonadiabatic process of conversion between different excited states occurs in the crossing regions of potential surfaces. Thus, we conclude that the nonadiabatic predissociation is important in the dissociation paths of S_3 into S_2+S.

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