Chapter 09 Nonequilibrium Green’s functions (NEGF), including coupled-correlated (C) single- and multi-particle Green’s functions, are defined as averages weighted with the time-development operator U(t0+τ,t0). Linear conductivity is exhibited as a two-particle equilibrium Green’s function (Kubo-type formulation). Admitting particle sources (S:η,η+) and non-conservation of number, the non-equilibrium multi-particle Green’s functions are constructed with numbers of creation and annihilation operators that may differ, and they may be derived as variational derivatives with respect to sources η,η+ of a generating functional eW=TrU(t0+τ,t0)CS/TrU(t0+τ,t0)C. (In the non-interacting case this yields the n-particle Green’s function as a permanent/determinant of single-particle Green’s functions.) These variational relations yield a symmetric set of multi-particle Green’s function equations. Cumulants and the Linked Cluster Theorem are discussed and the Random Phase Approximation (RPA) is derived variationally. Schwinger’s variational differential formulation of perturbation theories for the Green’s function, self-energy, vertex operator, and also shielded potential perturbation theory, are reviewed. The Langreth Algebra arises from analytic continuation of integration of products of Green’s functions in imaginary time to the real-time axis with time-ordering along the integration contour in the complex time plane. An account of the Generalized Kadanoff-Baym Ansatz is presented.
Unraveling the controversy over a catalytic reaction mechanism using a new theoretical methodology: One probe and non-equilibrium surface Green's function
