Formal functional integrals are commonly used as theoretical tools and as sources of intuition for predicting phase transitions of many-body systems in Condensed Matter Physics. In this thesis, we derive rigorous versions of these functional integrals for two types of quantum many-particle systems. We begin with a brief review of quantum statistical mechanics in Chapter 2 and the formalism of coherent states in Chapter 3, which form the basis for our analysis in Chapters 4 and 5. In Chapter 4, we study a mixed gas of bosons and/or fermions interacting on a finite lattice, with a general Hamiltonian that preserves the total number of particles in each species. We rigorously derive a functional integral representation for the partition function, which employs a large-field cutoff for the boson fields. We then expand the resulting “action” in powers of the fields and find a recursion relation for the coefficients. In the case of a two-body interaction (such as the Coulomb interaction), we also find bounds on the coefficients, which give a domain of analyticity for the action. This domain is large enough for use of the action in the functional integral, provided that the large-field cutoffs are taken to grow not too quickly. In Chapter 5, we study a system of electrons and phonons interacting in a finite lattice, using the Holstein Hamiltonian. Again, we rigorously derive a coherent-state functional integral representation for the partition function of this system and then prove that the “action” in the functional integral is an entire-analytic function of the fields. However, since the Holstein Hamiltonian does not preserve the total number of bosons, the approach from Chapter 4 requires some modification. In particular, we repeatedly use Duhamel expansions in powers of the interaction, rather than sums over particle numbers.
Formal functional integrals are commonly used as theoretical tools and as sources of intuition for predicting phase transitions of many-body systems in Condensed Matter Physics. In this thesis, we derive rigorous versions of these functional integrals for two types of quantum many-particle systems. We begin with a brief review of quantum statistical mechanics in Chapter 2 and the formalism of coherent states in Chapter 3, which form the basis for our analysis in Chapters 4 and 5. In Chapter 4, we study a mixed gas of bosons and/or fermions interacting on a finite lattice, with a general Hamiltonian that preserves the total number of particles in each species. We rigorously derive a functional integral representation for the partition function, which employs a large-field cutoff for the boson fields. We then expand the resulting “action” in powers of the fields and find a recursion relation for the coefficients. In the case of a two-body interaction (such as the Coulomb interaction), we also find bounds on the coefficients, which give a domain of analyticity for the action. This domain is large enough for use of the action in the functional integral, provided that the large-field cutoffs are taken to grow not too quickly. In Chapter 5, we study a system of electrons and phonons interacting in a finite lattice, using the Holstein Hamiltonian. Again, we rigorously derive a coherent-state functional integral representation for the partition function of this system and then prove that the “action” in the functional integral is an entire-analytic function of the fields. However, since the Holstein Hamiltonian does not preserve the total number of bosons, the approach from Chapter 4 requires some modification. In particular, we repeatedly use Duhamel expansions in powers of the interaction, rather than sums over particle numbers.
Functional integral representation of the partition functionThe customary approach to nonrelativistic many-body theory is to proceed with the method of second quantization begun in the first chapter.There is another approach, the method of functional integrals, which we shall follow here.Of course, what can be done in one formalism can always be done in another.Nevertheless, functional integrals seem to be the method of choice for most elementary particle theorists these days, and they seem to lend themselves more readily to nonperturbative phenomena such as tunneling, instantons, lattice gauge theory, etc.For gauge theories they are practically indispensable.However, there is a certain amount of formalism that must be developed before we can start to discuss physical applications.In this chapter, we shall derive the functional integral representation of the partition function for interacting relativistic non-gauge field theories.As a check on the formalism, as well as to obtain some feeling for how functional integrals work, we shall then rederive some well-known results on relativistic ideal gases for bosons and fermions.
The object of this thesis is to study the definition and the mathematically rigorous derivation of effective models in many body quantum mechanics. In this field, it is often impossible to compte exactly physically relevant quantities - such as the ground state energy of a system - because of the large number of degrees of freedom. Hence, introducing effective models (depending only on the local density of particles for instance) allows us to compute these quantities. Then, it remains to check that the effective model is indeed an approximation of the exact model in a macroscopic limit. Besides, in some models, some physical quantities (energy, scattering amplitude...), when computed naively, appear to be infinite. One has then to renormalize the theory in order to make these divergences (that are not observed experimentally) disappear. After putting the results of this thesis into context in the introduction, we will focus on the renormalization of a bosonic quadratic Hamiltonian on the Fock space in Chapter 2. This (formal) Hamiltonian is the sum of the second quantization of a one-particle operator and the square of a field operator, and it exhibits an ultraviolet divergence (i.e. coming from local singularities). More accurately, we will try to define a self-adjoint operator, and to show that it is the limit (in the resolvent sense) of the Hamiltonian with ultraviolet cutoff when the cutoff tends to infinity. To do so, we will first diagonalize the Hamiltonian in the regular case, using Bogoliubov transformations. Then, we will prove that the diagonalized Hamiltonian (up to a renormalization of the energy and the charge) still defines a self-adjoint, and we will show the convergence of the Hamiltonian with cut-off. In a second time, we will study the semi-classical limit of a Fermi gas, in two different scalings. In Chapter 3, we will focus on the dilute limite (i.e. with an interaction range very small compared to the typical distance between particles) of an inhomogeneous (trapped with a potential V) Fermi gas, with repulsive interactions and in three dimensions. Due to the Pauli exclusion principle, two fermions of same spin can only rarely be close enough to interact. Thus, we will consider a Fermi gas with two spin components. We will then show that the ground state energy of such a system can be approximated by a Thomas-Fermi energy (in which interactions play the role of a perturbation of the interactionless energy) in the large number of particles limit. Eventually, in Chapter 4, we will study the mean-field limit (with frequent but weak interactions) of an inhomogeneous Fermi gas, with attractive interactions and in one or two dimensions this time. Once more, we will show the convergence of the ground state energy toward a Thomas-Fermi energy. Moreover, we will also prove the convergence of the ground states. More accurately, we will show that the Husimi functions of these ground states converge to a convex combination of minimizers of the Vlasov energy.
This chapter introduces the holomorphic representation of quantum mechanics, because it allows a study of the properties of boson systems both from the point of view of evolution and of quantum statistical physics (in the so-called second quantization formalism). Path integrals then take the form of integrals over trajectories in phase space in a complex parametrization. A parallel formalism, based on integration over anti-commuting type or Grassmann variables, makes it possible to handle fermions in a way quite analogous to bosons. The corresponding path integral representation of the statistical operator is then derived. The holomorphic formalism is specially well adapted to a study of the harmonic oscillator and, more generally, of perturbed harmonic oscillators. As an illustration, the formalism is applied to the Bose-Einstein condensation. This chapter also considers complex integrals and Wick's theorem, kernel of operators, general Hamiltonians, partition function, and the quantum Bose gas.
Functional integration is one of the most powerful methods of modern theoretical physics. The functional integration approach to systems with an infinite number of degrees of freedom turns out to be very suitable for the introduction and formulation of the diagram perturbation theory in quantum field theory and statistical physics. This approach is simpler than that using an operator method. The application of functional integrals in statistical physics allows one to derive numerous interesting results more quickly than when using other methods. The theories of phase transitions of the second kind, superfluidity, superconductivity, lasers, plasma, the Kondo effect, the Ising model – a list of problems which is far from complete, for which the application of the functional integration method appears to be very fruitful. In some of the problems, it allows us to give a rigorous proof of results obtained by other methods. If there is a possibility of an exact solution, the functional integration method gives a simple way to obtain it. In problems far from being exactly solvable (for example, the general theory of phase transitions), the application of functional integrals helps to build up a qualitative picture of the phenomenon and to develop the approximative methods of calculations. Functional integrals are especially useful for the description of collective excitations, such as plasma oscillations in the system of particles with Coulomb interaction, quantum vortices and long-wave phonons in superfluidity and superconductivity, collective modes in 3 He-type systems and in 3 He− 4 He mixtures.
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.
The quantum theory of many-particle systems is deeply connected to the mathematical formalism and techniques of quantum field theory, which are crucial in order describe the emergent phenomena that arise in condensed matter physics. The main goal of this thesis is to provide a unified description of quantum field theory methods in the context of many-particle physics in order to extend and develop these techniques to better understand the different quantum properties of matter. This both furthers the conceptual understanding of quantum many-body correlation and also allows for the development of novel theoretical techniques that combine the different formalisms employed in condensed matter theory, quantum chemistry and nuclear physics. To achieve this aim, the thesis is composed of two parts. Part I deals with many-body fermion-fermion interactions and is physically motivated by the non-relativistic electronic structure problem. Here, we introduce the Keldysh contour formulation of quantum field theory to provide a unified presentation of quantum systems both in and out-ofequilibrium. Then, we extend the conventional quantum theory of many-particle systems, based on hermitian quantum mechanics, to describe systems governed by non-hermitan Hamiltonians. This allows us to present a natural unification of two major pillars in the ab initio quantum theory of many-particle systems: coupled-cluster theory and the Green’s function formalism. This unification is further demonstrated through the emergence of the coupled-cluster amplitude equations from the Green’s function formalism. In particular, this analysis has direct bearing on the development of novel theoretical approaches to the electronic structure and nuclear many-body problems. Our findings are also relevant to the study of general non-hermitian as well as open quantum systems. Part II focuses on the quantum field theory of electron-nuclear interactions in infinite solids. Here, we use the Keldysh contour representation presented in Part I to understand excited state dynamics that include electron-electron and electron-lattice interactions in materials. We also derive the analytic continuation of the Green’s function for systems that have continuous eigenspectra. This analysis demonstrates the relationship between the Green’s function formalism and scattering theory, making the role of the continuum and causality conditions explicitly clear in the context of the pole condition of the Dyson equation. Using the analytic continuation of the propagator, we provide an in-depth analysis of electron-phonon and exciton-phonon scattering channels, with a particular focus on phonon-driven exciton dissociation scattering. Our theoretical analysis then firmly demonstrates the connection between the extension of the Bethe-Salpeter equation approach to include electron-phonon interactions and effective field theories based on composite exciton-phonon coupling. We subsequently combine the techniques presented in Part I, based on the Dyson supermatrix formulation, with the analysis presented in Part II to calculate, from first principles, the effects of including electron-phonon interactions on the excited states of heterogeneous semiconductors. Finally, we provide a summary of the fundamental contributions presented in this thesis and the potential further research directions to be pursued.