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arXiv:cond-mat/0110588 · Europhysics Letters (EPL)

Simulating quantum dissipation in many-body systems

Luca Capriotti, Alessandro Cuccoli, A Fubini, V Tognetti, Ruggero Vaia

Published Apr 1, 2002• 12 citations
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Abstract

An efficient Path Integral Monte Carlo procedure is proposed to simulate the behavior of quantum many-body dissipative systems described within the framework of the influence functional. Thermodynamic observables are obtained by Monte Carlo sampling of the partition function after discretization and Fourier transformation in imaginary time of the dynamical variables. The method is tested extensively for model systems, using realistic dissipative kernels. Results are also compared with the predictions of a recently proposed semiclassical approximation, thus testing the reliability of the latter approach for weak quantum coupling. Our numerical method opens the possibility to quantitatively describe real quantum dissipative systems as, e.g. , Josephson junction arrays.

DOI
10.1209/epl/i2002-00618-2

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An efficient Path Integral Monte Carlo procedure is proposed to simulate the behavior of quantum many-body dissipative systems described within the framework of the influence functional. Thermodynamic observables are obtained by Monte Carlo sampling of the partition function after discretization and Fourier transformation in imaginary time of the dynamical variables. The method is tested extensively for model systems, using realistic dissipative kernels. Results are also compared with the predictions of a recently proposed semiclassical approximation, thus testing the reliability of the latter approach for weak quantum coupling. Our numerical method opens the possibility to quantitatively describe real quantum dissipative systems as, e.g. , Josephson junction arrays.
We address the possibility of performing numerical Monte Carlo simulations for the thermodynamics of quantum dissipative systems. Dissipation is considered within the Caldeira-Leggett formulation, which describes the system in the path-integral formalism through the inclusion of an influence action that is bilocal and quadratic in the system's coordinates. At a first sight the usual direct approach of discretizing the path integral could seem feasible, but complications arise when one tries to introduce a physically meaningful dissipation kernel: in particular its imaginary-time dependence turns out to be severely singular and difficult to evaluate analytically, in spite of the simple expressions for its Matsubara components. We therefore propose to face the numerical problem using Fourier path-integral Monte Carlo, that can be formulated in two different ways: transforming the continuous paths and then truncating the high Fourier components (with possible improvements upon the truncation procedure), or performing the Fourier transformation upon the discretized paths. The latter choice leads to a simpler formulation and allows for a better control of the extrapolation to the limit of infinite Trotter number. The method is implemented for a single nonlinear particle with Ohmic dissipation and for a phi(4) chain with Drude-like dissipation.
Abstract We address the possibility of performing numerical Monte Carlo simulations for the thermodynamics of quantum dissipative systems. Dissipation is considered within the Caldeira–Leggett formulation, which describes the system in the path‐integral formalism through the inclusion of an influence action that is bilocal and quadratic in the system's coordinates. At a first sight the usual direct approach of discretizing the path integral could seem feasible, but complications arise when one tries to introduce a physically meaningful dissipation kernel: in particular its imaginary‐time dependence turns out to be severely singular and difficult to evaluate analytically, in spite of the simple expressions for its Matsubara components. We therefore propose to face the numerical problem using Fourier path‐integral Monte Carlo, that can be formulated in two different ways: transforming the continuous paths and then truncating the high Fourier components (with possible improvements upon the truncation procedure), or performing the Fourier transformation upon the discretized paths. The latter choice leads to a simpler formulation and allows for a better control of the extrapolation to the limit of infinite Trotter number. The method is implemented for a single nonlinear particle with Ohmic dissipation and for a ϕ4 chain with Drude‐like dissipation.
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.
Recent progress in numerical methods for evaluating the real-time path integral in dissipative harmonic environments is reviewed. Quasi-adiabatic propagators constructed numerically allow convergence of the path integral with large time increments. Integration of the harmonic bath leads to path integral expressions that incorporate the exact dynamics of the quantum particle along the adiabatic path, with an influence functional that describes nonadiabatic corrections. The resulting quasi-adiabatic propagator path integral is evaluated by efficient system-specific quadratures in most regimes of parameter space, although some cases are handled by grid Monte Carlo sampling. Exploiting the finite span of nonlocal influence functional interactions characteristic of broad condensed phase spectra leads to an iterative scheme for calculating the path integral over arbitrary time lengths. No uncontrolled approximations are introduced, and the resulting methodology converges to the exact quantum result with modest amounts of computational power. Applications to tunneling dynamics in the condensed phase are described.
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.