The forward–backward semiclassical dynamics methodology [J. Phys. Chem. 103, 7753, 9479 (1999)] is reformulated in the interaction representation. The new version of the method allows for a fully quantum mechanical description of a low-dimensional subsystem of interest, along with a semiclassical forward–backward treatment of the solvent coordinates and their coupling to the reference subsystem. Application to the long-time tunneling dynamics in a symmetric double-well system coupled to a harmonic bath shows that the interaction FBSD is capable of capturing quantitatively the tunneling and decoherence effects induced by weakly dissipative environments.
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Research Article| September 01 2000
Forward–backward semiclassical dynamics in the interaction representation
Jiushu Shao, Nancy Makri; Forward–backward semiclassical dynamics in the interaction representation. J. Chem. Phys. 1 September 2000; 113 (9): 3681–3685. https://doi.org/10.1063/1.1287823
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