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arXiv:quant-ph/0205113 · Physical Review Letters

Embedding Dissipation and Decoherence in Unitary Evolution Schemes

A. R. P. Rau, R. A. Wendell

Published Nov 8, 2002• 36 citations
arXivHTMLPDF

Abstract

Dissipation and decoherence, and the evolution from pure to mixed states in quantum physics, are handled through master equations for the density matrix. By embedding elements of this matrix in a higher-dimensional Liouville-Bloch equation, the methods of unitary integration are adapted to solve for the density matrix as a function of time, including the nonunitary effects of dissipation and decoherence. The input requires only solutions of classical, initial value time-dependent equations. Results are illustrated for a damped, driven two-level system.

DOI
10.1103/physrevlett.89.220405

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Dissipation and decoherence, and the evolution from pure to mixed states in quantum physics, are handled through master equations for the density matrix. By embedding elements of this matrix in a higher-dimensional Liouville-Bloch equation, the methods of unitary integration are adapted to solve for the density matrix as a function of time, including the nonunitary effects of dissipation and decoherence. The input requires only solutions of classical, initial value time-dependent equations. Results are illustrated for a damped, driven two-level system.
Dissipation and decoherence, and the evolution from pure to mixed states in quantum physics, are handled through master equations for the density matrix. Master equations such as the Lindblad equation preserve the trace of this matrix. Viewing them as first-order time-dependent operator equations for the elements of the density matrix, a unitary integration procedure can be adapted to solve for these elements. A simple model for decoherence preserves the Hermiticity of the density matrix. A single, classical Riccati equation is the only one requiring numerical handling to obtain a full solution of the quantum evolution. The procedure is general, valid for any number of levels, but is illustrated here for a three-level system with two driving fields. For various choices of the initial state, we study the evolution of the system as a function of the amplitudes, relative frequencies, and phases of the driven fields and of the strength of the decoherence. The monotonic growth of the entropy is followed as the system evolves from a pure to a mixed state. An example is provided by the n=3n=3n=3 states of the hydrogen atom in a time-dependent electric field, such degenerate manifolds affording an analytical solution.
Both unitary evolution and the effects of dissipation and decoherence for a general three-level system are of wide interest in quantum optics, molecular physics, and elsewhere. A previous paper presented a technique for solving the time-dependent operator equations involved but under certain restrictive conditions. We now extend our results to a general three-level system with arbitrary time-dependent Hamiltonians and Lindblad operators. Analytical handling of the SU(3) algebra of the eight operators involved leaves behind a set of coupled first-order differential equations for classical functions. Solution of this set gives a complete solution of the quantum problem, without having to invoke rotating-wave or other approximations. Numerical illustrations for multiphoton couplings and quantum control are given.
The conditions under which quantum-classical Liouville dynamics may be reduced to a master equation are investigated. Systems that can be partitioned into a quantum-classical subsystem interacting with a classical bath are considered. Starting with an exact non-Markovian equation for the diagonal elements of the density matrix, an evolution equation for the subsystem density matrix is derived. One contribution to this equation contains the bath average of a memory kernel that accounts for all coherences in the system. It is shown to be a rapidly decaying function, motivating a Markovian approximation on this term in the evolution equation. The resulting subsystem density matrix equation is still non-Markovian due to the fact that bath degrees of freedom have been projected out of the dynamics. Provided the computation of nonequilibrium average values or correlation functions is considered, the non-Markovian character of this equation can be removed by lifting the equation into the full phase space of the system. This leads to a trajectory description of the dynamics where each fictitious trajectory accounts for decoherence due to the bath degrees of freedom. The results are illustrated by computations of the rate constant of a model nonadiabatic chemical reaction.
Unitary integration is a numerical method that preserves the structure of the quantum Liouville equation by evolving the density via unitary transformations. Unitary integrators preserve the kinematic invariants C(sub j) = trp(sup j), j = 1,..., n to all orders in the time step. Here we extend unitary integration to weakly dissipative systems. We apply the technique of operator splitting, using a unitary integrator for the Hamiltonian evolution and a conventional integrator for the dissipative piece. In this way, we guarantee that all dissipation and decoherence (variation of the C(sub j)) is due to the new non-Hamiltonian terms and not to any numerical artifacts. We illustrate the method with examples.
Abstract This chapter introduces the density operator and the Liouville equation and outlines how reduced dynamical description of open quantum systems naturally leads to the appearance of relaxation processes. (1) The density operator and the quantum Liouville equation (the density matrix for a pure system, statistical mixtures, representations, coherences, thermodynamic equilibrium). (2) An example: The time evolution of a two-level system in the density matrix formalism. (3) Reduced descriptions. (4) Time evolution equations for reduced density operators: The quantum master equation (projection operators, The Nakajima–Zwanzig equation, Derivation of the quantum master equation using the thermal projector, The quantum master equation in the interaction representation, The Markovian limit—the Redfield equation, The secular approximation and the Lindblad equation). (5) The Lindblad equation in the ‘Heisenberg representation’. (6) Relaxation of a two-level system and a harmonic oscillator revisited. (7) The optically driven two-level system in a thermal environment—the Bloch equations. (8) The oscillating dipole model of a two-level molecule. (9) Analogy of a coupled two-level system to a spin ½ system in a magnetic field.
The Lindblad master equation governs the general Markovian evolution of a density operator for an open quantum system. Semiclassical Wigner functions represent density operators in phase space in terms of chords on a classical manifold, so that the amplitude and phase of each chord contribution is classically defined. Inserting such a Wigner function into a phase space version of the master equation, its explicit evolution is derived in the absence of dissipation. There results a simple extension of the unitary evolution of the semiclassical Wigner function, which does not affect the phase of each chord contribution, while dampening its amplitude exponentially. Projecting the Wigner function on to an orthogonal position or momentum basis, the dampening of long chords emerges as the exponential decay of off-diagonal elements of the density matrix.