The symmetrical quasi-classical approach for propagation of a many degree of freedom density matrix is explored in the context of computing linear spectra. Calculations on a simple two state model for which exact results are available suggest that the approach gives a qualitative description of peak positions, relative amplitudes, and line broadening. Short time details in the computed dipole autocorrelation function result in exaggerated tails in the spectrum.
CITATION STYLE
Provazza, J., & Coker, D. F. (2018). Communication: Symmetrical quasi-classical analysis of linear optical spectroscopy. Journal of Chemical Physics, 148(18). https://doi.org/10.1063/1.5031788
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