Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Molecular Dynamics Simulation Study of Density Effects on Vibrational Dephasing in Diatomic Molecular Liquid $N_2$

  • Kwang-Jin Oh (Department of Chemistry, Korea University) ;
  • Seung-Joon Jeon (Department of Chemistry, Korea University) ;
  • Eok Kyun Lee (Department of Chemistry, Korea Advanced Institute of Science and Technology) ;
  • Tae Jun Park (Department of Chemistry, Dongkuk University)
  • Published : 1994.02.20
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Abstract

Molecular dynamics simulation was carried out to study density effects on vibrational dephasing. Because of difficulty due to large time scale difference between vibrational motion and vibrational relaxation, we adopt adiabatic approximation in which the vibrational motion is assumed to be much faster than translational and rotational motion. As a result, we are able to study vibrational dephasing by simulating motion of rigid molecules. It is shown that the dephasing time is decreased as density increases and the contribution to this result is mainly due to the mean-squared frequency fluctuation.

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References

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