DOI: 10.1063/1.439429. Molecular dynamics studies of orientational and collision-induced light scattering in molecular fluids

Molecular dynamics studies of orientational and collision-induced light scattering in molecular fluids

10.1063/1.439429

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Molecular dynamics calculations of the Rayleigh and Raman light scattering properties of atom–atom Lennard-Jones fluids (’’N2’’, ’’O2’’, ’’Cl2’’, and ’’CO2’’) have been made, including collision-induced (CI) effects to lowest order in the dipole-induced dipole approximation. CI effects are shown to result in deviations from the Lorentz–Lorenz (Claus–Mosotti) relation, changes in the spectral moments of both Rayleigh an Raman bands and in their depolarization ratios. Where possible, the predicted magnitudes are compared with experiment. Calculated CI influences on the effective molecular polarizability are compared with theoretical estimates based on the superposition approximation. The importance of isotropic CI light scattering in molecular fluids is indicated. Finally, we discuss the separability of orientational and CI contributions to depolarized spectra.

Bibliography

Frenkel, D., & McTague, J. P. (1980). Molecular dynamics studies of orientational and collision-induced light scattering in molecular fluids. The Journal of Chemical Physics, 72(4), 2801â2818.

Authors 2

D. Frenkel (first)
J. P. McTague (additional)

References 50 Referenced 224

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Dates

Type	When
Created	22 years, 6 months ago (Feb. 28, 2003, 3 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 3:52 p.m.)
Indexed	1 year, 6 months ago (Feb. 11, 2024, 5:20 a.m.)
Issued	45 years, 6 months ago (Feb. 15, 1980)
Published	45 years, 6 months ago (Feb. 15, 1980)
Published Print	45 years, 6 months ago (Feb. 15, 1980)

Funders 0

None

BibTeX

@article{Frenkel_1980, title={Molecular dynamics studies of orientational and collision-induced light scattering in molecular fluids}, volume={72}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.439429}, DOI={10.1063/1.439429}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Frenkel, D. and McTague, J. P.}, year={1980}, month=feb, pages={2801–2818} }

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