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Global dynamical analysis of vibrational manifolds of HOCl and HOBr under anharmonicity and Fermi resonance:the dynamical potential approach 被引量:1
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作者 房超 吴国祯 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第1期179-188,共10页
The vibrational dynamics of HOCl and HOBr between bending and OC1/OBr stretching coordinates with anharmonieity and Fermi coupling is studied with the classical dynamical potential approach. The quantal vibrational dy... The vibrational dynamics of HOCl and HOBr between bending and OC1/OBr stretching coordinates with anharmonieity and Fermi coupling is studied with the classical dynamical potential approach. The quantal vibrational dynamics is mostly mapped out by the classical nonlinear variables such as fixed points, except for the state energies, which are quantized. This approach is global in the sense that the focus is on a set of levels instead of individual ones. The dynamics of HOBr is demonstrated to be less complicated. The localized modes along the OCl/OBr stretching coordinates are also shown to have O-Br bonds more prone to dissociation. 展开更多
关键词 hocl/hobr dynamical potential Fermi coupling global dynamics
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