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arXiv:quant-ph/0102055

Quantum Liouville-space trajectories for dissipative systems

Jeremy B. Maddox, Eric R. Bittner

Published Feb 9, 2001• 0 citations
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Abstract

In this paper we present a new quantum-trajectory based treatment of quantum dynamics suitable for dissipative systems. Starting from a de Broglie/Bohm-like representation of the quantum density matrix, we derive and define quantum equations-of-motion for Liouville-space trajectories for a generalized system coupled to a dissipative environment. Our theory includes a vector potential which mixes forward and backwards propagating components and non-local quantum potential which continuously produces coherences in the system. These trajectories are then used to propagate an adaptive Lagrangian grid which carries the density matrix, $ρ(x,y)$, and the action, $A(x,y)$, thereby providing a complete hydrodynamic-like description of the dynamics.

DOI
10.48550/arxiv.quant-ph/0102055

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We present a new Bohmian trajectory based treatment of quantum dynamics suitable for dissipative systems. Writing the density matrix in complex-polar form, we derive and define quantum equations of motion for Liouville-space trajectories for a generalized system coupled to a dissipative environment. Our theory includes a vector potential which mixes forward and backwards propagating components and pulls coherence amplitude away from the diagonal region of the density matrix. Quantum effects enter via a double quantum potential, Q(x,y), which is a measure of the local curvature of the density amplitude. We discuss how decoherence can be thought of as a balancing between localization brought on by contact with a thermal environment which increases the local curvature of the density matrix and delocalization due to the internal pressure of the quantum force which seeks to minimize the local curvature. The quantum trajectories are then used to propagate an adaptive Lagrangian grid which carries the density matrix, ρ(x,y), and the action, A(x,y), thereby providing a complete hydrodynamiclike description of the dynamics.
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In recent years trajectory based methodologies have become increasingly popular for evaluating the time evolution of quantum systems. A revival of the de Broglie--Bohm interpretation of quantum mechanics has spawned several such techniques for examining quantum dynamics from a hydrodynamic perspective. Using techniques similar to those found in computational fluid dynamics one can construct the wave function of a quantum system at any time from the trajectories of a discrete ensemble of hydrodynamic fluid elements (Bohm particles) which evolve according to nonclassical equations of motion. Until very recently these schemes have been limited to conservative systems. In this paper, we present our methodology for including the effects of a thermal environment into the hydrodynamic formulation of quantum dynamics. We derive hydrodynamic equations of motion from the Caldeira-Leggett master equation for the reduced density matrix and give a brief overview of our computational scheme that incorporates an adaptive Lagrangian mesh. Our applications focus upon the dissipative dynamics of open unbounded quantum systems. Using both the Wigner phase space representation and the linear entropy, we probe the breakdown of the Markov approximation of the bath dynamics at low temperatures. We suggest a criteria for rationalizing the validity of the Markov approximation in open unbound systems and discuss decoherence, energy relaxation, and quantum/classical correspondence in the context of the Bohmian paths.
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A new approximate solution to the quantum-classical Liouville equation is derived starting from the formal solution of this equation in forward-backward form. The time evolution of a mixed quantum-classical system described by this equation is obtained in a coherent state basis using the mapping representation, which expresses N quantum degrees of freedom in a 2N-dimensional phase space. The solution yields a simple dynamics in which a set of N coherent state coordinates evolves in forward and backward trajectories, while the bath coordinates evolve under the influence of the mean potential that depends on these forward and backward trajectories. It is shown that the solution satisfies the differential form of the quantum-classical Liouville equation exactly. Relations to other mixed quantum-classical and semi-classical schemes are discussed.