Bulletin of the Korean Chemical Society

  • 제19권5호
  • /
  • Pages.539-544
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  • 1998
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  • 0253-2964(pISSN)
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  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
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A Theoretical Study on Vibrational Predissociation Rates of Ne-$I_2$

  • 발행 : 1998.05.20
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초록

A new theoretical method, named the SCF-DWB-IOS approximation, is suggested to investigate the vibrational predissociation of triatomic van der Waals complexes. The meta stable vibrational excited states are described with SCF (self-consistent-field) approximation and the fragmented diatomic continuum states are determined by using IOS (infinite order sudden) approximation. The dissociation process itself is studied by using DWB (distorted wave Born) approximation. As a test case, the predissociation rates, rotational state distributions of products, and the lifetimes of vibrationally excited states of $Ne-I_2$ are all computed which are in reasonable agreements with other theoretical and/or experimental results. The suggested SCF-DWB-IOS approximation scheme is found to be a very simple but efficient theoretical tool to investigate the vibrational predissociation dynamics of small van der Waals complexes.

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참고문헌

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