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Journal of the Physical Society of Japan

Diagrammatical Method for the Two-Time Green's Function for Many-Body Problems at Finite Temperatures

Tohru Morita

Published May 1, 1970• 3 citations
Publisher

Abstract

The diagram technique, which was developed to solve a hierarchy of equations of motion for the reduced density matrices, is applied in order to solve a hierarchy of the equations of motion for the two-time Green's functions. The diagrammatical representations of the two-time Green's functions are obtained either in terms of the equilibrium one- and many-particle reduced density matrices or in terms only of the equilibrium one-particle reduced density matrix. The latter representation for the one-particle two-time Green's function and the formula by which the reduced density matrix is calculated from the Green's function give us a set of coupled equations which determines both the reduced density matrix and the two-time Green's function. The calculation with the aid of the present technique is illustrated for an example of Hubbard's calculation for the “Hubbard Hamiltonian”.

DOI
10.1143/jpsj.28.1128

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The diagram technique, which was developed to solve a hierarchy of equations of motion for the reduced density matrices, is applied in order to solve a hierarchy of the equations of motion for the two-time Green's functions. The diagrammatical representations of the two-time Green's functions are obtained either in terms of the equilibrium one- and many-particle reduced density matrices or in terms only of the equilibrium one-particle reduced density matrix. The latter representation for the one-particle two-time Green's function and the formula by which the reduced density matrix is calculated from the Green's function give us a set of coupled equations which determines both the reduced density matrix and the two-time Green's function. The calculation with the aid of the present technique is illustrated for an example of Hubbard's calculation for the “Hubbard Hamiltonian”.
We develop a systematic approach to construct energy functionals of the one-particle reduced density matrix (1RDM) for equilibrium systems at finite temperature. The starting point of our formulation is the grand potential Ω [ G ] regarded as variational functional of the Green’s function G based on diagrammatic many-body perturbation theory and for which we consider either the Klein or Luttinger–Ward form. By restricting the input Green’s function to be one-to-one related to a set on one-particle reduced density matrices (1RDM) this functional becomes a functional of the 1RDM. To establish the one-to-one mapping we use that, at any finite temperature and for a given 1RDM γ in a finite basis, there exists a non-interacting system with a spatially non-local potential v [ γ ] which reproduces the given 1RDM. The corresponding set of non-interacting Green’s functions defines the variational domain of the functional Ω . In the zero temperature limit we obtain an energy functional E [ γ ] which by minimisation yields an approximate ground state 1RDM and energy. As an application of the formalism we use the Klein and Luttinger–Ward functionals in the GW-approximation to compute the binding curve of a model hydrogen molecule using an extended Hubbard Hamiltonian. We compare further to the case in which we evaluate the functionals on a Hartree–Fock and a Kohn–Sham Green’s function. We find that the Luttinger–Ward version of the functionals performs the best and is able to reproduce energies close to the GW energy which corresponds to the stationary point.
Abstract The method of the equation of motion is used to derive the Martin–Schwinger hierarchy for the nonequilibrium Green’s functions. The formal closure of the hierarchy is reached by using the selfenergy which provides a recipe for how to construct selfenergies from approximations of the two-particle Green’s function. The Langreth–Wilkins rules for a diagrammatic technique are shown to be equivalent to the weakening of initial correlations. The quantum transport equations are derived in the general form of Kadanoff and Baym equations. The information contained in the Green’s function is discussed. In equilibrium this leads to the Matsubara diagrammatic technique.
Part 1 Fundamentals and examples: systems of identical particles second quantization for fermions second quantization for bosons unitary transformations and field operators example - the Hamiltonian of translationally invariant systems in second quantization density operators the Hartree-Fock approximation restricted Hartree-Fock approximation and the symmetry dilemma Hartree-Fock for translationally invariant systems the homogeneous electron gas in the Hartree-Fock approximation long-range correlations in the electron-gas - plasmons phonons superconductivity. Part 2 Green's functions: pictures the single-particle Green's function and the hierarchy of equations of motion. Part 3 Perturbation theory: time-dependent perturbation theory with adiabatic turning-on of the interaction particle and hole operators and Wick's theorem Feynman diagrams diagrammatic calculation of the vacuum amplitude an example - the Gell-Mann-Brueckner correlation energy of a dense electron gas diagrammatic calculation of the single-particle Green's function - Dyson's equation diagrammatic analysis of the Green's function G(kappa, omega) self-consistent perturbation theory, higher-order Hartree-Fock theory the quasi-particle concept diagrammatic calculation of the two-particle Green's function and the polarization propagator effective interaction and dressed vertices plasmons in higher order perturbation theory at finite temperatures. Part 4 Fermi liquid theory: introduction equilibrium properties transport equation and collective modes microscopic derivation of the Landau fermi liquid theory applications to the Kondo problem.
The exact reduced density-matrix functional is derived from the Luttinger-Ward functional of the single-particle Green's function. Thereby, a formal link is provided between diagrammatic many-body approaches using Green's functions on the one hand and theories based on many-body wave functions on the other. This link can be used to explicitly construct approximations for the density-matrix functional that are equivalent to standard diagrammatic resummation techniques and to nonperturbative dynamical mean field theory in particular. Contrary to functionals of the Green's function, the exact density-matrix functional is convex and thus provides a true minimum principle which facilitates the calculation of the grand potential and derived equilibrium properties. The benefits of the proposed Green's-function-based density-matrix functional theory for geometrical structure optimization of strongly correlated materials are discussed.
It is shown that the spin [Formula: see text] Ising model can be formulated as a spinless fermion many-body problem and that the Green's function technique can be applied to it. The hierarchy of Green's function equations of motion terminates at the (q + 1)-particle Green's function, where q is the coordination number. This finite number of equations yields Fisher's transformation of correlations. The technique discussed in this paper can be used to obtain exact results for the one-dimensional Ising model.
Abstract We analyze the correspondence between two formalisms describing an interacting Bose gas, namely the standard Feynman diagrammatic expansion on the one hand, and the hierarchy equations for the imaginary-time Green functions on the other hand. We show that the Hartree–Fock approximation, as well as its first corrections at low density derived by Baym et al (2001 Eur. Phys. J. B 24 107–24), can be equivalently formulated in both formalisms. Within the hierarchy approach, the two-body correlations are expressed at lowest order in the interactions in terms of the full one-body Green function. This sheds light on the physical content of the corrections to the Hartree–Fock theory. Moreover, this representation of can be extended to higher orders, opening the way to systematic calculations of further corrections to the ideal critical temperature when the density increases.