Biexponential theory of Drude dissipation via hierarchical quantum master equation.

A nonperturbative quantum dissipation theory is developed based on an optimal construction of biexponential Drude bath correlation function for its influence on the system dynamics. It is an advanced hierarchical quantum master equation approach, aiming at a numerically efficient non-Markovian quantum dissipation propagator, with the support of a convenient criterion to estimate in advance its accuracy for general systems. Compared to its low level, single-exponential counterpart [R. X. Xu et al., J. Chem. Phys. 131, 214111 (2009)], the present theory remarkably improves the applicability range over all-parameter space, as tested critically with electron transfer and frequency-dispersed transient absorption of exciton dimer model systems.