DOI: 10.1063/1.452000. Reduced equations of motion for semiclassical dynamics in phase space

Reduced equations of motion for semiclassical dynamics in phase space

10.1063/1.452000

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Time-dependent self-consistent equations for semiclassical dynamics in phase space are developed. The method is based on constructing a Gaussian density matrix, whose equations of motion are obtained by requiring that the first two moments of the coordinates and momenta have the correct time evolution. The method can yield, in principle, the exact values of these moments for all time. The present method can be applied for the time evolution of mixed states in phase space and may, therefore, be particularly useful for molecular dynamics in condensed phases. Raman excitation profiles in anharmonic molecules are calculated and show excellent agreement with exact calculations.

Bibliography

Grad, J., Yan, Y. J., Haque, A., & Mukamel, S. (1987). Reduced equations of motion for semiclassical dynamics in phase space. The Journal of Chemical Physics, 86(6), 3441â3454.

Authors 4

Jonathan Grad (first)
Yi Jing Yan (additional)
Azizul Haque (additional)
Shaul Mukamel (additional)

References 51 Referenced 38

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 9:10 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 12:53 a.m.)
Indexed	1 year, 6 months ago (Feb. 11, 2024, 8:59 a.m.)
Issued	38 years, 5 months ago (March 15, 1987)
Published	38 years, 5 months ago (March 15, 1987)
Published Print	38 years, 5 months ago (March 15, 1987)

Funders 0

None

BibTeX

@article{Grad_1987, title={Reduced equations of motion for semiclassical dynamics in phase space}, volume={86}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.452000}, DOI={10.1063/1.452000}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Grad, Jonathan and Yan, Yi Jing and Haque, Azizul and Mukamel, Shaul}, year={1987}, month=mar, pages={3441–3454} }

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