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Kinetic equations for open quantum system in the occupation number representation

Elmar G. Petrov

Published Jan 1, 2001• 0 citations
OpenAlex

Abstract

Master equation for density matrix of an open many–particle system is derived in the occupation number representation. The Born approximation with respect to system–bath interaction is utilized and the fast relaxation within the system is assumed to be fulfiled. The reduction of a linear master equation to a nonlinear set of kinetic equations for one–particle distribution functions is carried out at the condition of strong particle–particle interaction. As an example, the procedure of derivation of kinetic equations for description of electron transfer through specific molecular nanostructures like molecular wires is demonstrated with taking into consideration the strong Coulomb repulsion between the transferred electrons.

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Master equation for density matrix of an open many–particle system is derived in the occupation number representation. The Born approximation with respect to system–bath interaction is utilized and the fast relaxation within the system is assumed to be fulfiled. The reduction of a linear master equation to a nonlinear set of kinetic equations for one–particle distribution functions is carried out at the condition of strong particle–particle interaction. As an example, the procedure of derivation of kinetic equations for description of electron transfer through specific molecular nanostructures like molecular wires is demonstrated with taking into consideration the strong Coulomb repulsion between the transferred electrons.
Based on the non-equilibrium density matrix method and using the Bogolyubov’s approach for the decoupling of many-particle distribution functions, a closed set of kinetic equations is derived for the state occupancies of closed and open quantum systems. It is shown that the transformation of a non-Markovian master equation into a Markovian one becomes possible at a high-frequency stochastic field alternating the energy levels of a quantum system. At a weak interaction between quantum subsystems composing the open quantum system, the set of linear balance-like kinetic equations for multistate occupancies of the system is transformed into a set of nonlinear kinetic equations for the occupancies of separate quantum subsystems.
We consider an open quantum many-particle system in which there are dissipative processes. The evolution of this system is described by a kinetic equation for the density matrix. From the equation describing a random Markov process in this system, we obtain an equation for the single-particle statistical operator. This equation describes the evolution of a system of identical particles in a mean-field approximation. The equation for interacting particles in thermodynamic equilibrium was obtained. The distribution function of a system of interacting electrons in metals has multivalence in a certain region of wave vectors. Among many solutions one is isotropic. Other solutions have the anisotropy of the electron distribution over the wave vectors. The anisotropy arises as a result of repulsion and attraction between electrons.
Starting from the quantum statistical master equation derived in [1] we show how the connection to the semi-classical Boltzmann equation (SCBE) can be established and how irreversibility is related to the problem of separability of quantum mechanics. Our principle goal is to find a sound theoretical basis for the description of the evolution of an electron gas in the intermediate regime between pure classical behavior and pure quantum behavior. We investigate the evolution of one-particle properties in a weakly interacting N-electron system confined to a finite spatial region in a near-equilibrium situation that is weakly coupled to a statistical environment. The equations for the reduced n-particle density matrices, with n < N are hierarchically coupled through two-particle interactions. In order to elucidate the role of this type of coupling and of the inter-particle correlations generated by the interaction, we examine first the particular situation where energy transfer between the N-electron system and the statistical environment is negligible, but where the system has a finite memory. We then formulate the general master equation that describes the evolution of the coarse grained one-particle density matrix of an interacting confined electron gas including energy transfer with one or more bath subsystems, which is called the quantum Boltzmann equation (QBE). The connection with phase space is established by expressing the one-particle states in terms of the overcomplete basis of coherent states, which are localized in phase space. In this way we obtain the QBE in phase space. After performing an additional coarse-graining procedure in phase space, and assuming that the interaction of the electron gas and the bath subsystems is local in real space, we obtain the semi-classical Boltzmann equation. The validity range of the classical description, which introduces local dynamics in phase space is discussed.
The propagation of a fast particle in a low-density gas at thermal equilibrium is studied in the context of quantum mechanics. A quantum master equation in the Redfield form governing the reduced density matrix of the particle is derived explicitly from first principles. Under some approximations, this equation reduces to the linear Boltzmann equation. The issue of the positivity of the time evolution is also discussed by means of a Lindblad form. The Born and Markov assumptions underlying these equations, as well as other approximations regarding the bath correlation function, are discussed in detail. Furthermore, all these master equations are shown to be equivalent with each other if the density matrix of the particle is diagonal in the momentum basis, or if the collision rate is independent of the particle momentum.
Quantum kinetic equations (QKE) are used for the description of highly excited electrons in the conduction band of semiconductors in the short time regime. The relaxation process is described with QKE in Born approximation and with QKE including two particle correlations. The results of the approximations are compared for different particle densities with the exact solution of a one-dimensional model of N electrons with linear dispersion interacting with optical phonons. Especially the discussion of the processes contributing to the gain peak allows a better understanding of the approximations.
We develop the theory of quantum transport of electrons through systems with strong correlations between fermionic and internal spin degrees of freedom. The atomic representation for the Hamiltonian of a device and nonequilibrium Green’s functions constructed using the Hubbard operators allow overcoming difficulties in the perturbation theory encountered in the traditional approach because of a larger number of bare scattering amplitudes. Representing the matrix elements of effective interactions as a superposition of terms each of which is split in matrix indices, we obtain a simple method for solving systems of very many equations for nonequilibrium Green’s functions in the atomic representation. As a result, we obtain an expression describing the electron currents in a device one of whose sites is in tunnel coupling with the left contact and the other, with the right contact. We derive closed kinetic equations for the occupation numbers under conditions where the electron flow leads to significant renormalization of them.