Semiquantal time-dependent Hartree approach to condensed phase chemical dynamics: application to the system-bath model.

摘要: A semiquantal analysis of condensed phase chemical dynamics, outlined recently for a double-well linearly coupled to dissipative harmonic bath [K. Ando, Chem. Phys. Lett. 376, 532 (2003)], is formulated in detail clarify its general features as well the specifics linear and quadratic coupling cases. The theory may be called “semiquantal time-dependent Hartree (SQTDH)” approach, it assumes factorized product squeezed coherent state wave packets variational subspace many-dimensional function. Due this assumption, straightforwardly satisfies canonicity condition introduced by Marumori et al. [Prog. Theor. 64, 1294 (1980)] described set Hamilton equations motion an extended space that includes auxiliary coordinates representing packet widths. potential provides pictorial understanding quantum effects affected due coupling, e.g., suppression t...