Piecewise ensemble averaging stochastic Liouville equations for simulating non-Markovian quantum dynamics

Abstract

Here we present a novel stochastic Liouville equation with piecewisely correlated noises, in which the inter-piece correlation is rigorously incorporated by a convolution integral involving functional derivatives. Due to the feature of piecewise correlation, we can perform piecewise ensemble average and serve the average of the preceding interval as the initial condition of the subsequent propagation. This strategy avoids the long-time stochastic average and the statistical errors are saturated at long times. By doing so, we circumvent the intrinsic difficulty of the stochastic simulations caused by the fast increase in the variance of the quantum Brownian motion. Therefore, as demonstrated by the numerical examples, the proposed method enables us to simulate the long-time quantum dissipative dynamics with long memories in the non-perturbative regime.