Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
112 (2000), S. 6338-6348
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We investigated the mechanism of the third-order nonlinear optical (NLO) response of liquid CS2 by molecular dynamics simulation from both qualitative and quantitative aspects. The time-dependent relative importance of the orientational and collision-induced dynamics of the molecules to the fluctuation of polarizability was analyzed in order to understand the relation between the dynamics of the molecules and the third-order NLO response. Our analysis shows that the fluctuation of polarizability associated with the orientational dynamics of the molecules is responsible for 81% of the total NLO response. We calculated the values of the third-order NLO coefficients and they were found to be in semiquantitative agreement with the experimental values. We discuss the validity of fitting semiempirical theoretical models to the experimental signals as a means to analyze the mechanism of the NLO response. © 2000 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.481600
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