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AIP conference proceedings

Monte Carlo Methods for Dissipative Quantum Systems

Jürgen T. Stockburger

Published Jan 1, 2003• 0 citations
Publisher

Abstract

Complex quantum phenomena can often be understood more easily by identifying a relevant system and an environment which interacts with the system. Numerically exact methods for these dissipative quantum systems are discussed with particular focus on their dynamics. Using the dissipative two‐state system and charge transport through a mesoscopic metallic island as illustrative examples, we present algorithms based on the importance sampling of Feynman path integrals as well as novel techniques relying on the numerical simulation of stochastic Liouville‐von Neumann equations.

DOI
10.1063/1.1632144

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Complex quantum phenomena can often be understood more easily by identifying a relevant system and an environment which interacts with the system. Numerically exact methods for these dissipative quantum systems are discussed with particular focus on their dynamics. Using the dissipative two‐state system and charge transport through a mesoscopic metallic island as illustrative examples, we present algorithms based on the importance sampling of Feynman path integrals as well as novel techniques relying on the numerical simulation of stochastic Liouville‐von Neumann equations.
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 nonperturbative 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.
We develop a real-time full configuration-interaction quantum Monte Carlo approach to model driven-dissipative open quantum systems with Markovian system-bath coupling. The method enables stochastic sampling of the Liouville--von Neumann time evolution of the density matrix thanks to a massively parallel algorithm, thus providing estimates of observables on the nonequilibrium steady state. We present the underlying theory and introduce an initiator technique and importance sampling to reduce the statistical error. Finally, we demonstrate the efficiency of our approach by applying it to the driven-dissipative two-dimensional XYZXYZXYZ spin-12\frac{1}{2}21​ model on a lattice.
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We develop an iterative, numerically exact approach for the treatment of nonequilibrium quantum transport and dissipation problems that avoids the real-time sign problem associated with standard Monte Carlo techniques. The method requires a well-defined decorrelation time of the nonlocal influence functional for proper convergence to the exact limit. Since finite decorrelation times may arise either from temperature or from a voltage drop at zero temperature, the approach is well suited for the description of the real-time dynamics of single-molecule devices and quantum dots driven to a steady state via interaction with two or more electron leads. We numerically investigate two nontrivial models: the evolution of the nonequilibrium population of a two-level system coupled to two electronic reservoirs, and quantum transport in the nonequilibrium Anderson model. For the latter case, two distinct formulations are described. Results are compared to those obtained by other techniques.