Density Operator Formalism

Edwin D. Becker

L. Stanton

A study has been carried out on the relationship between formal scattering theory and the density matrix formalism. The density operator is developed in terms of the scattering operator S and the observable square modulus matrix elements of S are shown to be equivalent to elements of the density matrix. The Møller wave operators are similarly treated and subsequently used in obtaining the density matrix expression for the transition matrix. Finally, using the latter, it is shown that the hierarchy of approximations to the density matrix yields equivalent results to those obtained from the Born series.

Paul S. Hubbard

Nuclear magnetic relaxation phenomena are studied by means of a density operator formalism. Both quantum mechanical and semiclassical forms of a density operator relaxation theory are developed using this formalism. Both forms of the theory are applicable when the spin energy depends explicity on time, and both predict correctly the observed density operator. The relaxation of a system of identical spin-1/2 nuclei is calculated as an example. (T.F.H.)

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.