Many functions of physical interest are defined by means of recursion relations where a function of a given rank can be expressed in terms of the functions of lower rank. It is also usually possible to define approximation schemes which, with natural modifications, can be applied to evaluate any function of the hierarchy. Typical examples are density functions, propagators, and Green's functions, and the approximation approaches to them are often based on perturbation theory. The attempt of this work is to clarify the connection between the approximation schemes for propagators and the hierarchy of linking equations. The concept of scheme consistency is introduced and used to extend available approximation schemes. As a specific example the theory is worked out for the particle-particle propagator, a quantity describing the simultaneous removal of two particles from a many-particle system. It is expected that the derived working equations are of importance in the description of double-ionization processes where each of the two removed electrons originates from a different part of the system.
Many functions of physical interest are defined by means of recursion relations where a function of a given rank can be expressed in terms of the functions of lower rank. It is also usually possible to define approximation schemes which, with natural modifications, can be applied to evaluate any function of the hierarchy. Typical examples are density functions, propagators, and Green's functions, and the approximation approaches to them are often based on perturbation theory. The attempt of this work is to clarify the connection between the approximation schemes for propagators and the hierarchy of linking equations. The concept of scheme consistency is introduced and used to extend available approximation schemes. As a specific example the theory is worked out for the particle-particle propagator, a quantity describing the simultaneous removal of two particles from a many-particle system. It is expected that the derived working equations are of importance in the description of double-ionization processes where each of the two removed electrons originates from a different part of the system.
To avoid confusion, it is necessary to be quite explicit about what is assumed and what is to be proved. A. Klein, Phys. Rev. 121, 950 (1961) Summary The topic of this chapter is functionals that provide a concise formulation for thermodynamic quantities and Green's function methods in interacting many-body systems. Building upon the instructive examples of density functional theory and the Hartree– Fock approximation, functionals of the Green's function are developed to provide a framework for practical methods used extensively in many-body perturbation theory (Chs. 9–15), dynamical mean-field theory (Chs. 16–20), and their combination in Ch. 21. Functional concepts give a firm foundation for those methods, for example, they give the conditions for approximations to obey conservation laws. Additional background and specific aspects are in App. H. Many physical quantities can be expressed as functionals , i.e., they depend on an entire function.1 For example, in the quantum variational method to determine a wavefunction, the total energy of a system of many electrons is a functional of a many-body trial wavefunction ( r 1 , r 2 , …): it is the expectation value of the hamiltonian. At the variational minimum, assuming the trial wavefunction is completely flexible, one finds the many-body Schrödinger equation for the ground state. Many of the properties we are interested in are, formally, simple functionals of the ground- or excited-state wavefunctions. In the search for feasible ways to calculate properties such as excitation spectra, we are led to different types of functional. The idea is to deal only with a physical, measurable quantity Q of interest and a variational functional E [ Q ] of this quantity. The variational character of E allows one to derive equations that determine Q 0 , the value of Q for the system in a desired state, typically the ground state or equilibrium state at T ≠ 0. Other properties should be different functionals F m [ Q ] that can then be evaluated at Q = Q 0 . This strategy is outlined in Fig. 8.1. To appreciate the power of such approaches, one can consider the impact of density functional theory, which is formulated as a functional of the density n ( r ) of electrons; it is defined for a range of densities and the variational minimum for the energy functional E [ n ] leads to equations to determine the actual ground-state density n 0 ( r ) and total energy E 0 .
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.
This is the first of a series of papers dealing with many-particle systems from a unified, nonperturbative point of view. It contains derivations and discussions of various field-theoretical techniques which will be applied in subsequent papers. In a short introduction the general method of approach is summarized, and its relationship to other field-theoretic problems indicated. In the second section the macroscopic properties of the spectra of many-particle systems are described. Asymptotic evaluations are performed which characterize these macroscopic features in terms of intensive parameters, and the relationship of these parameters to thermodynamics is discussed. The special characteristics of the ground state are shown to follow as a limiting case of the asymptotic evaluations. The third section is devoted to the time-dependent field correlation functions, or Green's functions, which describe the microscopic behavior of a multiparticle system. These functions are defined, and related to intensive macroscopic variables when the energy and number of particles are large. Spectral representations and other properties of various one-particle Green's functions are derived. In the fourth section the treatment of non-equilibrium processes is considered. As a particular example, the electromagnetic properties of a system are expressed in terms of the special two-particle Green's function which describes current correlation. The discussion yields specifically a fluctuation-dissipation theorem, a sum rule for conductivity, and certain dispersion relations. The fifth section deals with the differential equations which determine the Green's functions. The boundary conditions that characterize the Green's function equations are exhibited without reference to adiabatic decoupling. A method for solving the equations approximately, by treating the correlations among successively larger numbers of particles, is considered. The first approximation in this sequence is shown to yield a generalized Hartree-like equation. A related, but rigorous, identity for the single-particle Green's function is then derived. A second approximation, which takes certain two-particle correlations into account, is shown to produce various additional effects: The interaction between particles is altered in a manner characterized by the intensive macroscopic parameters, and the modification and spread of the energy-momentum relation come into play. In the final section compact formal expressions for the Green's functions and other physical quantities are derived. Alternative equations and systematic approximations for the Green's functions are obtained.
We extend the self-consistent Green's functions formalism to take into account three-body interactions. We analyze the perturbative expansion in terms of Feynman diagrams and define effective one- and two-body interactions, which allows for a substantial reduction of the number of diagrams. The procedure can be taken as a generalization of the normal ordering of the Hamiltonian to fully correlated density matrices. We give examples up to third order in perturbation theory. To define nonperturbative approximations, we extend the equation-of-motion method in the presence of three-body interactions. We propose schemes that can provide nonperturbative resummation of three-body interactions. We also discuss two different extensions of the Koltun sum rule to compute the ground state of a many-body system.
Introduction In this and the next two chapters we lay down the basis to go beyond the Hartree–Fock approximation. We develop a powerful approximation method with two main distinctive features. The first feature is that the approximations are conserving . A major difficulty in the theory of nonequilibrium processes consists in generating approximate Green's functions yielding a particle density n (x, t ) and a current density J (x, t ) which satisfy the continuity equation, or a total momentum P ( t ) and a Lorentz force F ( t ) which is the time-derivative of P ( t ), or a total energy E ( t ) and a total power which is the time-derivative of E ( t ), etc. All these fundamental relations express the conservation of some physical quantity. In equilibrium the current is zero and hence the density is conserved, i.e., it is the same at all times; the force is zero and hence the momentum is conserved; the power fed into the system is zero and hence the energy is conserved, etc. The second important feature is that every approximation has a clear physical interpretation. In Chapter 7 we showed that the two-particle Green's function in the Hartree and Hartree–Fock approximation can be represented diagrammatically as in Fig. 7.1 and Fig. 7.2 respectively. In these diagrams two particles propagate from (1′, 2′) to (1, 2) as if there was no interaction.
A general proof of the size consistency of the many-body Green's-function and the related Rayleigh-Schr\"odinger perturbation theory methods is provided, on the basis of the linked-cluster theorem, for infinite polymer systems. It is assessed by means of calculations of the ionization potentials, and their corresponding pole strengths, on increasing-size model oligomers achieved using the equation-of-motion--algebraic superoperator approach. The orbital picture for the ionization process is shown to be partially preserved in infinite systems. The dependence of the correlation and relaxation effects with the size of the system and the inner character of the ionized orbitals, is interpreted within the framework of the band-structure formalism. The hierarchy observed among the many-body corrections obtained at several levels of approximation used to expand the one-particle propagator are also explained by diagrammatic considerations.