A density-matrix approach to thermal equilibrium states

Takashi Mori, Seiji Miyashita

We study the structure of the time evolution of the density matrix in contact with a thermal bath in a standard projection operator sheme. The reduced density matrix of the system in the steady state is obtained by tracing out the degree of freedom of the thermal bath from the equilibrium density matrix of the total system. This reduced density matrix is modified by the interaction, and is different from that of the equilibrium of the system alone. We explicitly calculate the contribution of each term in quantum master equation to the realization of the steady state density matrix, and make clear roles of each term. By making use of the role of each term, the properties of the commonly used quantum master equation are examined.

Stella M. Peltier, Angelo Plastino

Karim Faid, Ronald F. Fox

A molecular system is stochastically coupled to a phonon thermal reservoir. The equation for its averaged density matrix describes the approach to thermal equilibrium.Received 15 September 1986DOI:https://doi.org/10.1103/PhysRevA.35.2684©1987 American Physical Society

Timothy P. Spiller, B. M. Garraway, Ian Colin Percival

Ole Keller

A detailed account of the density matrix formalism and the resolvent operator theory is given. The statistical mixture of quantum states is described in terms of the density matrix operator, a concept which in an elegant manner allows one to obtain the ensemble average of an observable [a Hermitian operator, which eigenspectrum is complete]. On the basis of an integral equation for the evolution operator, described in the Interaction Representation, the Liouville equation, describing the dynamical evolution of the density matrix operator, is established. A comprehensive analysis of thermal equilibrium in electron systems is presented. For a description of the dynamical time evolution of a system in contact with a heat bath, a reservoir in thermal equilibrium, the den- sity matrix operator approach is shown to be extremely convenient. The Kubo formalism for the time-dependent density matrix is discussed in its most general form. The so-called resolvent propagator formalism is set up starting from a discussion of the analytical part of a Dirac delta function. Having established integral equations for the retarded and advanced scalar propagator operators, the resolvent propagator concept is introduced and analyzed. The resolvent of the Hamiltonian is of particular importance in physics, and the singularities of this resolvent (poles and branch cuts) are identified. We finish by a study of correlated systems in terms of the reduced density matrix operator concept.