Quantum Monte Carlo Calculations of Electron Dynamics in Dissipative Solid-State Systems Using Real-Time Path Integrals

摘要

A nonperturbative technique is developed to solve for the quantum dynamics of an electron interacting strongly with its environment. Real-time path-integral methods are used to solve numerically a quantum dissipation problem that simulates nonequilibrium electron transport in solids. A linearly coupled electron-phonon interaction is used to model the dissipation. This method is non-perturbative in both the electron-phonon coupling and the external electric field, making it useful for electron-transport calculations in cases of both high fields and large phonon-scattering rates. Monte Carlo sampling over the electron paths is done using the Feynman-Vernon influence functional as a weight. Importance-Sampling methods are developed for the numerical solution of the quantum propagation. Results of the calculations are shown which include the motion of the electron, the wave-packet spread, and temperature effects. Keywords: Reprints; Quantum dynamics; Electronic transport; Solid state systems; Real-time path integral methods. (jhd)