A recently described symmetrical windowing methodology [S. J. Cotton and W. H. Miller, J. Phys. Chem. A 117, 7190 (2013)] for quasi-classical trajectory simulations is applied here to the Meyer-Miller [H.-D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979)] model for the electronic degrees of freedom in electronically non-adiabatic dynamics. Results generated using this classical approach are observed to be in very good agreement with accurate quantum mechanical results for a variety of test applications, including problems where coherence effects are significant such as the challenging asymmetric spin-boson system.
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|$\rho ({\bm P},{\bm Q}) = \int {d{\bm\Delta }{\bm Q}e^{ - i\;{\bm P} \cdot {\bm\Delta }{\bm Q}} {\bm Q} + {\bm\Delta }{\bm Q}/2{\rm |}e^{ - \beta H_{11} ({\bm Q})} {\rm |}{\bm Q} - {\bm\Delta }{\bm Q}/2} $|.
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Slightly different model parameters were used here relative to Fig. 5(a) simply due to the QM results we happen to have available.
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2013
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