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Chinese Physics, 2007, Vol. 16(10): 2952-2956    DOI: 10.1088/1009-1963/16/10/022
ATOMIC AND MOLECULAR PHYSICS Prev   Next  

Intramolecular vibrational dynamical barrier due to extremely irrational couplings

Ou Shu-Ching(区树清) and Wu Guo-Zhen(吴国祯)
Molecular and Nano Sciences Laboratory, Department of Physics, Tsinghua University, Beijing 100084, China
Abstract  The intramolecular vibrational dynamics due to extremely irrational couplings is demonstrated by contrast to the resonance couplings, for the three-mode case of H$_2$O as an example. The extremely irrational couplings are shown to impose such strong hindrance to intramolecular vibrational relaxation (IVR) that they act as barriers. They restrict the direct action/energy transfer between the two stretching modes, though they allow the transfer between a stretching and a bending modes. In contrast, the resonance is more mediated by the bending mode and leads to chaotic IVR. It is also shown that there is a region in the dynamical space in which resonance and extremely irrational couplings coexist.
Keywords:  intramolecular vibrational relaxation      extremely irrational couplings      resonance  
Received:  04 March 2007      Revised:  15 March 2007      Accepted manuscript online: 
PACS:  33.15.Mt (Rotation, vibration, and vibration-rotation constants)  
  31.15.-p (Calculations and mathematical techniques in atomic and molecular physics)  
  33.20.Tp (Vibrational analysis)  
  33.15.Hp (Barrier heights (internal rotation, inversion, rotational isomerism, conformational dynamics))  
Fund: Project supported by the National Natural Science Foundation of China (Grant No~20373030) and the Foundation for Key Program of Ministry of Education, China (Grant No~306020) and the Specialized Research Fund for the Doctoral Program of Higher Educatio

Cite this article: 

Ou Shu-Ching(区树清) and Wu Guo-Zhen(吴国祯) Intramolecular vibrational dynamical barrier due to extremely irrational couplings 2007 Chinese Physics 16 2952

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