DOI: 10.1063/1.439422. A molecular dynamics simulation of dephasing in liquid nitrogen. II. Effect of the pair potential on dephasing

A molecular dynamics simulation of dephasing in liquid nitrogen. II. Effect of the pair potential on dephasing

10.1063/1.439422

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We carry out a computer simulation of vibrational dephasing in liquid nitrogen near its boiling point using a multiparameter potential which includes short range valence, dispersion, and quadrupole interactions. The effect of vibration–rotation coupling on the line shape is also included in the calculation. The isotropic Raman line shift obtained is −5 cm−1 while the dephasing time T2 (inversely proportional to the linewidth) is 100±10 psec. It is shown that there is substantial cancellation between repulsive and attractive contributions to the linewidths, so that the Raman spectrum is very sensitive to details of the molecular interactions.

Bibliography

Levesque, D., Weis, J.-J., & Oxtoby, D. W. (1980). A molecular dynamics simulation of dephasing in liquid nitrogen. II. Effect of the pair potential on dephasing. The Journal of Chemical Physics, 72(4), 2744â2749.

Authors 3

D. Levesque (first)
J.-J. Weis (additional)
David W. Oxtoby (additional)

References 26 Referenced 76

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{'key': '2024020918404199000_r3'}
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10.1016/0009-2614(74)80315-5 / Chem. Phys. Lett. (1974)
10.1063/1.1651976 / Appl. Phys. Lett. (1968)
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{'key': '2024020918404199000_r13'}
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{'key': '2024020918404199000_r21'}
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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, 3:43 p.m.)
Indexed	3 months ago (May 27, 2025, 4:46 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{Levesque_1980, title={A molecular dynamics simulation of dephasing in liquid nitrogen. II. Effect of the pair potential on dephasing}, volume={72}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.439422}, DOI={10.1063/1.439422}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Levesque, D. and Weis, J.-J. and Oxtoby, David W.}, year={1980}, month=feb, pages={2744–2749} }

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