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Theoretical and mathematical physics

Effective Single-Particle Equations

E. Engel, Reiner M. Dreizler

Published Jan 1, 2011• 2 citations
Publisher
DOI
10.1007/978-3-642-14090-7_3

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The mapping, exact or approximate, of a many-body problem onto an effective single-body problem is one of the most widely used conceptual and computational tools of physics. Here, we propose and investigate the inverse map of effective approximate single-particle equations onto the corresponding many-particle system. This approach allows us to understand which interacting system a given single-particle approximation is actually describing, and how far this is from the original physical many-body system. We illustrate the resulting reverse engineering process by means of the Kohn-Sham equations of density-functional theory. In this application, our procedure sheds light on the nonlocality of the density-potential mapping of density-functional theory, and on the self-interaction error inherent in approximate density functionals.
Quantum master equations are common tools to describe the dynamics of many-body systems open to an environment. Due to the interaction with the latter, even for the case of noninteracting electrons, the computational cost to solve these equations increases exponentially with the particle number. We propose a simple scheme, which allows to study the dynamics of NNN noninteracting electrons taking into account both dissipation effects and Fermi statistics, with a computational cost that scales linearly with NNN. Our method is based on a mapping of the many-body system to a specific set of effective single-particle systems. We provide detailed numerical results showing excellent agreement between the effective single-particle scheme and the exact many-body one, as obtained from studying the dynamics of two different systems. In the first, we study optically-induced currents in quantum rings at zero temperature, and in the second we study a linear chain coupled at its ends to two thermal baths with different (finite) temperatures. In addition, we give an analytical justification for our method, based on an exact averaging over the many-body states of the original master equations.
From a quantized many-body system a wave equation for the motion of a particle linearly coupled to a heat bath is derived. The effective Hamiltonian describing the motion of the single particle is explicitly time dependent, and for a quadratic potential, has a simple dependence on the initial position and momentum of the particle. For the case of dissipative harmonic motion, a time-dependent wave equation is derived and the ground-state wave function is determined. It is also shown that if the equations of motion for the many-body system is Galilean invariant, the reduced form of equation of motion for the single particle is not. However a generalized form of transformation for the position and momentum operators, to a coordinate system moving with constant velocity, is obtained, which reduces to the Galilean transformation when the coupling to the dissipative system is turned off.