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Physical Review C

Relativistic many-body theory of finite nuclei and the Schwinger-Dyson formalism

Masahiro Nakano, Akira Hasegawa

Published Feb 1, 1991• 6 citations
Publisher

Abstract

A method is shown to derive a consistent Hamiltonian of nucleon and meson system in a finite nucleus from a Lorentz-scalar Lagrangian. For this purpose, the Schwinger-Dyson method is applied to a many-body problem of the interacting nucleons and mesons in a finite system. Using this method, closed equations of exact Green's functions for single-particle motions of a nucleon and a meson are derived. It is shown that the interactions of nucleons and mesons generate local dependent potentials in a finite system and that the potentials can be determined self-consistently on the basis of the many-body Schwinger-Dyson formalism. In the method, condensed meson fields are extracted from the meson fields and treated as c-number fields, so that the classical equations of the condensed fields become equivalent to those of the mean-field theory originally proposed by Walecka et al.$---- The present method is regarded as a natural extension of mean-field theory to a full quantum treatment for finite systems. The method provides a self-consistent description of the single-particle motions of nucleons and mesons and their mutual interactions. It allows us to include full quantum effects and to describe not only the ground state but also excited states in a systematic way.

DOI
10.1103/physrevc.43.618

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A method is shown to derive a consistent Hamiltonian of nucleon and meson system in a finite nucleus from a Lorentz-scalar Lagrangian. For this purpose, the Schwinger-Dyson method is applied to a many-body problem of the interacting nucleons and mesons in a finite system. Using this method, closed equations of exact Green's functions for single-particle motions of a nucleon and a meson are derived. It is shown that the interactions of nucleons and mesons generate local dependent potentials in a finite system and that the potentials can be determined self-consistently on the basis of the many-body Schwinger-Dyson formalism. In the method, condensed meson fields are extracted from the meson fields and treated as c-number fields, so that the classical equations of the condensed fields become equivalent to those of the mean-field theory originally proposed by Walecka et al.$---- The present method is regarded as a natural extension of mean-field theory to a full quantum treatment for finite systems. The method provides a self-consistent description of the single-particle motions of nucleons and mesons and their mutual interactions. It allows us to include full quantum effects and to describe not only the ground state but also excited states in a systematic way.
We discuss the description of a many-body nuclear system using Hamiltonians that contain the nucleon relativistic kinetic energy and potentials with relativistic corrections. Through the Foldy-Wouthuysen transformation, the field theoretical problem of interacting nucleons and mesons is mapped to an equivalent one in terms of relativistic potentials, which are then expanded at some order in 1mN\frac{1}{{m}_{N}}mN​1​. The formalism is applied to the Hartree problem in nuclear matter, showing how the results of the relativistic mean field theory can be recovered over a wide range of densities.
We proposed Atomic Schwinger–Dyson method (ASD method) in this paper, which was the nonperturbative and finite relativistic quantum field theory, and we treat many electron system and electronic matter. The ASD formalism consists of coupled Dyson equations of electrons and photons. Since, it includes self-energies in a nonperturbative way, higher-order correlations beyond Hartee–Fock approximation are taken into account. Some important differences between the ASD formalism for the system of finite electron density and SD formalism of zero electron density are shown. The main difference is due to the existence of condensed photon field, symmetry breaking, and what we call, Coulomb's potential. By paying special attention to the treatment of the condensed photon fields, the coupled Dyson equations of electron and photon are derived based on functional propagator method. It is shown that this treatment of the condensed fields naturally leads to tadpole energy, which cancels the Hartree energy. By using these photon propagators, explicit expression of ASD coupled equations and the energy density of matters are derived for numerical calculations in a subsequent paper. Similarities and differences between ASD and traditional methods such as the mean field theory or the Hartree–Fock method are discussed; it is shown that these traditional methods were included in our ASD formalism.
Identical Particles Second Quantization Independent-Particle Model for Fermions in Finite Systems Two-Particle States and Interactions Noninteracting Bosons and Fermions Propagators in One-Particle Quantum Mechanics Single-Particle Propagator in Many-Particle Systems Perturbation Expansion of the Single-Particle Propagator Dyson Equation and Self-consistent Green's Functions Mean-Field or Hartree-Fock Approximation Beyond the Mean-Field Approximation Interacting Boson Systems Excited States in Finite Systems Excited States in Infinite Systems Excited States in N 2 Systems and In-Medium Scattering Dynamical Treatment of the Self-energy in Infinite Systems Dynamical Treatment of the Self-energy in Finite Systems Bogoliubov Perturbation Expansion for the Bose Gas Boson Perturbation Theory Applied to Physical Systems In-Medium Interaction and Scattering of Dressed Particles Conserving Approximations and Excited States Pairing Phenomena Propagator Framework for Phenomenological Description of Many-Body Systems Finite Temperature Formalism and Applications.
Ground-state properties in a model quantum field theory are calculated by stochastic evaluation of a path integral representation of the many-body propagator. The model consists of nonrelativistic nucleons coupled to vector and scalar mesons in one spatial dimension. Binding energies and density distributions are calculated for bound states of up to twenty nucleons. The binding energy as a function of density, the nucleon-nucleon correlation function, and the meson-meson correlation function are evaluated in nuclear matter. Exact ground-state solutions to the full field theory are shown to differ relatively little from those of the potential theory corresponding to the static limit. The exact solutions differ substantially from those of the mean-field (Hartree) approximation, but are quite similar to those obtained in the Hartree-Fock approximation.NUCLEAR STRUCTURE Meson-nucleon field theory. Monte Carlo solution. Nuclear matter.
Electronic structure of materials from first principles is essential for one-to-one comparisons between theories and experiments. However, the many-body effects resulting from electron correlation and their interplay with other degrees of freedom pose a great challenge to design an ab initio approximate method with good accuracy and efficiency at the same time. In this thesis, we present our recent developments of ab initio many-body theory for solids based on the finite-temperature Green’s function formalism. We begin by reviewing the basic concepts and definitions of realistic electronic Hamiltonians (Ch. 2) as well as Green’s functions at finite temperature (Ch. 3). Overviews of self-consistent many-body perturbation theories and quantum embedding theories are then presented in Chs. 4 and 5 as complementary materials for the following chapters. In Ch. 6, we present algorithms and implementation details for the finite-temperature self-consistent GW (scGW) method in Gaussian-type orbitals for solids. Our implementation is based on the finite-temperature Green’s function formalism in which all equations are solved on the imaginary axis, without resorting to analytical continuation during the self-consistency. No quasiparticle approximation is employed and all matrix elements of self-energies are explicitly evaluated. We show agreement with other, differently formulated finite-temperature scGW implementations. By migrating computationally intensive calculations to GPUs, we obtain scalable results on large supercomputers with nearly optimal performance. Inclusion of relativistic effects in scGW is discussed in Ch. 7. Our formulation of relativistic scGW is based on the exact two-component formalism with one-electron approximation (X2C1e) and non-relativistic Coulomb interactions. Our theory allows us to study scalar relativistic effects, spin-orbit coupling, and their interplay with electron correlation without adjustable parameters. We examine the effect of the X2C1e by comparison to the established four-component formalism and reach excellent agreement. The simplicity of X2C1e enables construction of higher order theories, such as embedding theories, on top of perturbative calculations. In Ch. 8, we use self-energy embedding theory (SEET) to study the spectra of the prototypical undistorted cubic perovskites SrVO3 and SrMnO3. In the strongly correlated metallic SrVO3, we find that the usual attribution of the satellite peaks at -1.8 eV to Hund or Hubbard physics in the t2g orbitals is inconsistent with our calculations. In the strongly correlated insulator SrMnO3 we recover insulating behavior due to a feedback effect between the strongly correlated orbitals and the weakly correlated environment. Our calculation shows a systematic convergence of spectral features as the space of strongly correlated orbitals is enlarged, paving the way to a systematic parameter-free study of correlated perovskites. Lastly, in Ch. 9, we apply the Green’s function coupled cluster singles and doubles (GFCCSD) impurity solver to realistic impurity problems in strongly correlated solids within the framework of SEET. We describe the implementation details of our Green’s function coupled cluster (GFCC) solver, investigate its performance, and highlight potential advantages and problems on examples of impurities created for antiferromagnetic MnO and paramagnetic SrMnO3. GFCCSD provides satisfactory descriptions for weakly and moderately correlated impurities with sizes that are intractable by existing accurate impurity solvers such as exact diagonalization. However, when correlations become strong, the singles and doubles approximation used in GFCC could lead to instabilities in searching for the particle number present in impurity problems.
I review the way the many-body Green functions are used to renormalize the perturbation theory of correlated fermions. The Green functions are introduced to implement systematically dynamical corrections to the static mean-field theory. The renormalizations enter the perturbation theory via self-consistent evaluations of one-particle and two-particle Green functions. The one-particle self-consistency is discussed within the Baym-Kadanoff construction. We point to an inherent dichotomy of the Baym-Kadanoff approach in the relation between one and two-particle Green functions. They are the Schwinger-Dyson equation, directly derived from the generating Luttinger-Ward functional, and the Ward identity. The latter imposes a severe restriction on the two-particle irreducible vertex and is not guaranteed in the Baym-Kadanoff approach. No approximate theory is capable to obey both relations. I further discuss the two-particle approach with two-particle renormalizations that offers a way to reconcile the Schwinger-Dyson equation and the Ward identity. The two-particle irreducible vertex from the critical Bethe-Salpeter equation becomes a generating functional in the two-particle renormalization of the perturbation theory. The irreducible vertex is used in the Ward identity to determine the order parameter beyond the critical point and in the Bethe-Salpeter equation representing the vertex of the Schwinger-Dyson equation to determine the spectral self-energy in such a way that the thermodynamic critical behavior from both equations is qualitatively the same. Finally, I discuss a static mean-field-like approximation with a renormalized effective interaction determined self-consistently that leads to a qualitatively correct description of strong electron correlations in impurity and lattice models.