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Cambridge University Press eBooks

Diagrammatics

Jan Dereziński, Christian Gérard

Published Nov 4, 2022• 0 citations
Publisher

Abstract

DiagrammaticsThe diagrammatic method is one of the most powerful tools of theoretical physics.It allows us to efficiently organize perturbative computations in statistical physics, quantum many-body theory and quantum field theory.The main feature of this method is a representation of individual terms of a perturbative expansion as diagrams (graphs).Diagrams consist of vertices representing terms in the perturbation, lines representing pairings between vertices and, possibly, external legs.There exist several kinds of diagrams.We will try to present them in a systematic way.In Sect.20.1 we present a diagrammatic formalism whose goal is to organize integration of polynomials with respect to a Gaussian measure.This formalism is used extensively in classical statistical physics.It also plays an important role in quantum physics, especially in the Euclidean approach, since many quantum quantities can be expressed in terms of Gaussian integrals over classical variables.We use the term "Gaussian integration" in a rather broad sense.Beside commuting "bosonic" variables, we also consider anti-commuting "fermionic" variables, where we use the Berezin integral with respect to a Gaussian weight.Even in the case of commuting variables, the "Gaussian integral" is not necessarily meant in the sense of measure theory.It denotes an algebraic operation performed on polynomials (or formal power series), which in the case of a positive definite covariance coincides with the usual integral with a Gaussian weight.However, we allow the covariance to be complex, or even negative definite, and do not insist that the operation have a measure theoretic meaning.We distinguish two kinds of spaces on which we perform the integrals: real and complex.As in many other places in our work, we treat these two cases in parallel.Of course, the difference between the real (i.e.neutral), and the complex (i.e.charged) formalism is mainly that of a different notation.In particular, charged lines need to be equipped with an arrow, whereas neutral lines need not.The terminology that we use is inspired by quantum field theory.Therefore, the variables that enter the integral are associated with "particles"; they are divided into "bosons" and "fermions", each subdivided into "neutral" and "charged" particles.In the main part of the chapter we describe the diagram formalism used in quantum many-body physics and quantum field theory.As a preparation, we include a brief Sect.20.2 devoted to the basic terminology of perturbation theory

DOI
10.1017/9781009290876.021

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Diagrammatics

Jan Dereziński, Christian Gérard

The diagrammatic method is one of the most powerful tools of theoretical physics. It allows us to efficiently organize perturbative computations in statistical physics, quantum many-body theory and quantum field theory. The main feature of this method is a representation of individual terms of a perturbative expansion as diagrams ( graphs ). Diagrams consist of vertices representing terms in the perturbation, lines representing pairings between vertices and, possibly, external legs . There exist several kinds of diagrams. We will try to present them in a systematic way. In Sect. 20.1 we present a diagrammatic formalism whose goal is to organize integration of polynomials with respect to a Gaussian measure. This formalism is used extensively in classical statistical physics. It also plays an important role in quantum physics, especially in the Euclidean approach, since many quantum quantities can be expressed in terms of Gaussian integrals over classical variables. We use the term “Gaussian integration” in a rather broad sense. Beside commuting “bosonic” variables, we also consider anti-commuting “fermionic” variables, where we use the Berezin integral with respect to a Gaussian weight. Even in the case of commuting variables, the “Gaussian integral” is not necessarily meant in the sense of measure theory. It denotes an algebraic operation performed on polynomials (or formal power series), which in the case of a positive definite covariance coincides with the usual integral with a Gaussian weight. However, we allow the covariance to be complex, or even negative definite, and do not insist that the operation have a measure theoretic meaning.

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At present, the only general method available for gaining knowledge from the fundamental principles about the dynamics of a system is the perturbative study. This consists in dividing the Hamiltonian into one part representing a simpler well-understood problem and a nontrivial part, the effect of which is studied order by order. The expressions resulting from perturbation theory quickly become unwieldy. This chapter deals with propagators. It introduces the retarded and advanced propagator and describes their perturbation theoretic structure in a potential in terms of diagrams. A convenient method of representing perturbative expressions by diagrams was invented by Feynman. Besides the appealing aspect of representing perturbative expressions by drawings, the diagrammatic method can also be used directly for reasoning and problem solving. The easily recognizable topology of diagrams makes the diagrammatic method a powerful tool for constructing approximation schemes as well as exact equations that may hold true beyond perturbation theory.

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Abstract The functional integral representation of the density matrix at thermal equilibrium in non-relativistic quantum mechanics (QM) with many degrees of freedom, in the grand canonical formulation is introduced. In QM, Hamiltonians H(p,q) can be also expressed in terms of creation and annihilation operators, a method adapted to the study of perturbed harmonic oscillators. In the holomorphic formalism, quantum operators act by multiplication and differentiation on a vector space of analytic functions. Alternatively, they can also be represented by kernels, functions of complex variables that correspond in the classical limit to a complex parametrization of phase space. The formalism is adapted to the description of many-body boson systems. To this formalism corresponds a path integral representation of the density matrix at thermal equilibrium, where paths belong to complex spaces, instead of the more usual position–momentum phase space. A parallel formalism can be set up to describe systems with many fermion degrees of freedom, with Grassmann variables replacing complex variables. Both formalisms can be generalized to quantum gases of Bose and Fermi particles in the grand canonical formulation. Field integral representations of the corresponding quantum partition functions are derived.

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Many-body perturbation theory (MBPT) is widely used in quantum physics, chemistry, and materials science. At the heart of MBPT is the Feynman diagrammatic expansion, which is, simply speaking, an elegant way of organizing the combinatorially growing number of terms of a certain Taylor expansion. In particular, the construction of the `bold Feynman diagrammatic expansion' involves the partial resummation to infinite order of possibly divergent series of diagrams. This procedure demands investigation from both the combinatorial (perturbative) and the analytical (non-perturbative) viewpoints. In Part I of this two-part series, we illustrate how the combinatorial properties of Feynman diagrams in MBPT can be studied in the simplified setting of Gibbs measures (known as the Euclidean lattice field theory in the physics literature) and provide a self-contained explanation of Feynman diagrams in this setting. We prove the combinatorial validity of the bold diagrammatic expansion, with methods generalizable to several types of field theories and interactions. Our treatment simplifies the presentation and numerical study of known techniques in MBPT such as the self-consistent Hartree-Fock approximation (HF), the second-order Green's function approximation (GF2), and the GW approximation. The bold diagrams are closely related to the Luttinger-Ward (LW) formalism, which was proposed in 1960 but whose analytic properties have not been rigorously established. The analytical study of the LW formalism in the setting of Gibbs measures will be the topic of Part II.

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Accurately describing many-body effects in multi-orbital systems remains a major challenge in theoretical condensed matter physics. At present, there is a significant methodological gap between the numerical tools used in ab initio computational materials science and those developed to study strong electronic correlations. The former can treat realistic, large-scale systems but typically neglect many-body effects, while the latter focus on simplified models with only a few degrees of freedom, as only such models can be solved accurately in the presence of strong interactions. The purpose of this thesis is to bridge these two approaches and establish a systematic theoretical framework for realistic correlated electronic materials. This involves a full-cycle methodology that begins with constructing ab initio interacting models from density-functional theory, solving them using dynamical mean-field theory to capture local correlations, and extending beyond to incorporate non-local collective electronic fluctuations. To this end, we introduce the "dual" approach to strong correlations, which includes the dual fermion, dual boson, and dual triply irreducible local expansion methods. The central idea of the dual theories is to shift the reference point of the conventional Feynman diagrammatic expansion from a non-interacting electronic system to an interacting but exactly solvable one. Integrating out this reference system recasts the expansion in an effective dual space, where all diagrammatic building blocks are renormalized by the corresponding impurity quantities. This procedure transforms a non-perturbative expansion in the original variables into a perturbative expansion in terms of dual fermionic and bosonic fields, exact in both the weak- and strong-coupling limits. In this thesis, we collect and systematize the major developments of dual techniques achieved to date.

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DiagrammaticsThe diagrammatic method is one of the most powerful tools of theoretical physics.It allows us to efficiently organize perturbative computations in statistical physics, quantum many-body theory and quantum field theory.The main feature of this method is a representation of individual terms of a perturbative expansion as diagrams (graphs).Diagrams consist of vertices representing terms in the perturbation, lines representing pairings between vertices and, possibly, external legs.There exist several kinds of diagrams.We will try to present them in a systematic way.In Sect.20.1 we present a diagrammatic formalism whose goal is to organize integration of polynomials with respect to a Gaussian measure.This formalism is used extensively in classical statistical physics.It also plays an important role in quantum physics, especially in the Euclidean approach, since many quantum quantities can be expressed in terms of Gaussian integrals over classical variables.We use the term "Gaussian integration" in a rather broad sense.Beside commuting "bosonic" variables, we also consider anti-commuting "fermionic" variables, where we use the Berezin integral with respect to a Gaussian weight.Even in the case of commuting variables, the "Gaussian integral" is not necessarily meant in the sense of measure theory.It denotes an algebraic operation performed on polynomials (or formal power series), which in the case of a positive definite covariance coincides with the usual integral with a Gaussian weight.However, we allow the covariance to be complex, or even negative definite, and do not insist that the operation have a measure theoretic meaning.We distinguish two kinds of spaces on which we perform the integrals: real and complex.As in many other places in our work, we treat these two cases in parallel.Of course, the difference between the real (i.e.neutral), and the complex (i.e.charged) formalism is mainly that of a different notation.In particular, charged lines need to be equipped with an arrow, whereas neutral lines need not.The terminology that we use is inspired by quantum field theory.Therefore, the variables that enter the integral are associated with "particles"; they are divided into "bosons" and "fermions", each subdivided into "neutral" and "charged" particles.In the main part of the chapter we describe the diagram formalism used in quantum many-body physics and quantum field theory.As a preparation, we include a brief Sect.20.2 devoted to the basic terminology of perturbation theory
The diagrammatic method is one of the most powerful tools of theoretical physics. It allows us to efficiently organize perturbative computations in statistical physics, quantum many-body theory and quantum field theory. The main feature of this method is a representation of individual terms of a perturbative expansion as diagrams ( graphs ). Diagrams consist of vertices representing terms in the perturbation, lines representing pairings between vertices and, possibly, external legs . There exist several kinds of diagrams. We will try to present them in a systematic way. In Sect. 20.1 we present a diagrammatic formalism whose goal is to organize integration of polynomials with respect to a Gaussian measure. This formalism is used extensively in classical statistical physics. It also plays an important role in quantum physics, especially in the Euclidean approach, since many quantum quantities can be expressed in terms of Gaussian integrals over classical variables. We use the term “Gaussian integration” in a rather broad sense. Beside commuting “bosonic” variables, we also consider anti-commuting “fermionic” variables, where we use the Berezin integral with respect to a Gaussian weight. Even in the case of commuting variables, the “Gaussian integral” is not necessarily meant in the sense of measure theory. It denotes an algebraic operation performed on polynomials (or formal power series), which in the case of a positive definite covariance coincides with the usual integral with a Gaussian weight. However, we allow the covariance to be complex, or even negative definite, and do not insist that the operation have a measure theoretic meaning.
At present, the only general method available for gaining knowledge from the fundamental principles about the dynamics of a system is the perturbative study. This consists in dividing the Hamiltonian into one part representing a simpler well-understood problem and a nontrivial part, the effect of which is studied order by order. The expressions resulting from perturbation theory quickly become unwieldy. This chapter deals with propagators. It introduces the retarded and advanced propagator and describes their perturbation theoretic structure in a potential in terms of diagrams. A convenient method of representing perturbative expressions by diagrams was invented by Feynman. Besides the appealing aspect of representing perturbative expressions by drawings, the diagrammatic method can also be used directly for reasoning and problem solving. The easily recognizable topology of diagrams makes the diagrammatic method a powerful tool for constructing approximation schemes as well as exact equations that may hold true beyond perturbation theory.
Abstract The functional integral representation of the density matrix at thermal equilibrium in non-relativistic quantum mechanics (QM) with many degrees of freedom, in the grand canonical formulation is introduced. In QM, Hamiltonians H(p,q) can be also expressed in terms of creation and annihilation operators, a method adapted to the study of perturbed harmonic oscillators. In the holomorphic formalism, quantum operators act by multiplication and differentiation on a vector space of analytic functions. Alternatively, they can also be represented by kernels, functions of complex variables that correspond in the classical limit to a complex parametrization of phase space. The formalism is adapted to the description of many-body boson systems. To this formalism corresponds a path integral representation of the density matrix at thermal equilibrium, where paths belong to complex spaces, instead of the more usual position–momentum phase space. A parallel formalism can be set up to describe systems with many fermion degrees of freedom, with Grassmann variables replacing complex variables. Both formalisms can be generalized to quantum gases of Bose and Fermi particles in the grand canonical formulation. Field integral representations of the corresponding quantum partition functions are derived.
Many-body perturbation theory (MBPT) is widely used in quantum physics, chemistry, and materials science. At the heart of MBPT is the Feynman diagrammatic expansion, which is, simply speaking, an elegant way of organizing the combinatorially growing number of terms of a certain Taylor expansion. In particular, the construction of the `bold Feynman diagrammatic expansion' involves the partial resummation to infinite order of possibly divergent series of diagrams. This procedure demands investigation from both the combinatorial (perturbative) and the analytical (non-perturbative) viewpoints. In Part I of this two-part series, we illustrate how the combinatorial properties of Feynman diagrams in MBPT can be studied in the simplified setting of Gibbs measures (known as the Euclidean lattice field theory in the physics literature) and provide a self-contained explanation of Feynman diagrams in this setting. We prove the combinatorial validity of the bold diagrammatic expansion, with methods generalizable to several types of field theories and interactions. Our treatment simplifies the presentation and numerical study of known techniques in MBPT such as the self-consistent Hartree-Fock approximation (HF), the second-order Green's function approximation (GF2), and the GW approximation. The bold diagrams are closely related to the Luttinger-Ward (LW) formalism, which was proposed in 1960 but whose analytic properties have not been rigorously established. The analytical study of the LW formalism in the setting of Gibbs measures will be the topic of Part II.
Abstract Chapter 2 is rather descriptive and introduces the notion of functional (path and field) integrals, for boson (the holomorphic formalism) as well as fermion systems (this necessitates the introduction of Grassmann integration) as they are used in physics. Prior to the second half of the twentieth century, the technical tools of theoretical physics were mainly differential or partial differential equations. However, when systematic investigations of large scale systems with quantum of statistical fluctuations began, new tools were required. This led to the development of functional integration. In this chapter, the role of Gaussian measures and Gaussian expectation values is emphasized, leading to Wick’s theorem, a tool for perturbative calculations. Functional integrals provide remarkable tools to study the classical limit and barrier penetration. They provide a simple bridge between non–relativistic quantum mechanics and quantum field theory.
Accurately describing many-body effects in multi-orbital systems remains a major challenge in theoretical condensed matter physics. At present, there is a significant methodological gap between the numerical tools used in ab initio computational materials science and those developed to study strong electronic correlations. The former can treat realistic, large-scale systems but typically neglect many-body effects, while the latter focus on simplified models with only a few degrees of freedom, as only such models can be solved accurately in the presence of strong interactions. The purpose of this thesis is to bridge these two approaches and establish a systematic theoretical framework for realistic correlated electronic materials. This involves a full-cycle methodology that begins with constructing ab initio interacting models from density-functional theory, solving them using dynamical mean-field theory to capture local correlations, and extending beyond to incorporate non-local collective electronic fluctuations. To this end, we introduce the "dual" approach to strong correlations, which includes the dual fermion, dual boson, and dual triply irreducible local expansion methods. The central idea of the dual theories is to shift the reference point of the conventional Feynman diagrammatic expansion from a non-interacting electronic system to an interacting but exactly solvable one. Integrating out this reference system recasts the expansion in an effective dual space, where all diagrammatic building blocks are renormalized by the corresponding impurity quantities. This procedure transforms a non-perturbative expansion in the original variables into a perturbative expansion in terms of dual fermionic and bosonic fields, exact in both the weak- and strong-coupling limits. In this thesis, we collect and systematize the major developments of dual techniques achieved to date.