MOLECULAR-DYNAMICS SIMULATION STUDY OF DENSITY EFFECTS ON VIBRATIONAL DEPHASING IN DIATOMIC MOLECULAR LIQUID N2

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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.
Publisher
KOREAN CHEMICAL SOC
Issue Date
1994-02
Language
ENG
Article Type
Article
Appears in Collection
CH-Journal Papers(저널논문)
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