Stochastic Schrödinger equation approach to real-time dynamics of Anderson-Holstein impurities: an open quantum system perspective

Abstract

We develop a stochastic Schrödinger equation (SSE) framework to simulate real-time dynamics of Anderson-Holstein (AH) impurities coupled to a continuous fermionic bath. The bath degrees of freedom are incorporated through fluctuating terms determined by exact system-bath correlations, which is derived in an ab initio manner. We show that such an SSE treatment provides a middle ground between numerically expansive microscopic simulations and macroscopic master equations. Computationally, the SSE model enables efficient numerical methods for propagating stochastic trajectories. We demonstrate that this approach not only naturally provides microscopically-detailed information unavailable from reduced models, but also captures effects beyond master equations, thus serves as a promising tool to study open quantum dynamics emerging in physics and chemistry.

16 pages, 8 figures

References in corpus (9)

• Chirality Induced Spin Coherence in Electron Transfer Reactions
• Stochastic jump processes for non-Markovian quantum dynamics
• Fermionic Stochastic Schrödinger Equation and Master Equation: An Open System Model
• The formation of nonequilibrium steady states in interacting double quantum dots: When coherences dominate the charge distribution
• Robust analytic continuation of Green's functions via projection, pole estimation, and semidefinite relaxation
• Long transient dynamics in the Anderson-Holstein model out of equilibrium
• A fast time domain solver for the equilibrium Dyson equation
• Quantum phase transitions in a pseudogap Anderson-Holstein model
• Efficient Frozen Gaussian Sampling Algorithms for Nonadiabatic Quantum Dynamics at Metal Surfaces