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Ehrenfest+R dynamics. II. A semiclassical QED framework for Raman scattering
Hsing-Ta Chen1, Tao E Li1, Maxim Sukharev2
1Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA.
The Journal of Chemical Physics
|February 3, 2019
Summary
Ehrenfest+R dynamics accurately describe Raman scattering, a phenomenon missed by standard Ehrenfest dynamics. This method quantitatively matches Kramers-Heisenberg-Dirac theory for both resonant and off-resonant signals.
Area of Science:
- Quantum dynamics
- Physical chemistry
- Spectroscopy
Background:
- Standard Ehrenfest dynamics do not capture Raman scattering.
- Previous work introduced Ehrenfest+R dynamics to include spontaneous emission.
Purpose of the Study:
- To demonstrate Ehrenfest+R dynamics' capability in describing Raman scattering.
- To validate Ehrenfest+R dynamics against established theories.
Main Methods:
- Application of Ehrenfest+R dynamics to a two-level system.
- Comparison of results with Kramers-Heisenberg-Dirac theory.
Main Results:
- Ehrenfest+R dynamics correctly describe Raman scattering features.
- Quantitative accuracy achieved for both resonant and off-resonant Raman signals.
Conclusions:
- Ehrenfest+R dynamics offer a robust method for simulating Raman scattering.
- This approach extends the applicability of Ehrenfest dynamics to a wider range of quantum phenomena.
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