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Quantum statistical physics: Functional integration formalism

Jean Zinn‐Justin

Published Apr 15, 2021• 0 citations
Publisher

Abstract

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.

DOI
10.1093/oso/9780198834625.003.0004

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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.
Abstract Functional integrals are basic tools to study first quantum mechanics (QM), and quantum field theory (QFT). The path integral formulation of QM is well suited to the study of systems with an arbitrary number of degrees of freedom. It makes a smooth transition between nonrelativistic QM and QFT possible. The Euclidean functional integral also emphasizes the deep connection between QFT and the statistical physics of systems with short-range interactions near a continuous phase transition. The path integral representation of the matrix elements of the quantum statistical operator e-β H for Hamiltonians of the simple separable form p2/2m +V(q) is derived. To the path integral corresponds a functional measure and expectation values called correlation functions, which are generalized moments, and related to quantum observables, after an analytic continuation in time. The path integral corresponding to the Euclidean action of a harmonic oscillator, to which is added a time-dependent external force, is calculated explicitly. The result is used to generate Gaussian correlation functions and also to reduce the evaluation of path integrals to perturbation theory. The path integral also provides a convenient tool to derive semi-classical approximations.
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.
The von Neumann trace form of quantum statistical mechanics is transformed to an integral over classical phase space. Formally exact expressions for the resultant position-momentum commutation function are given. A loop expansion for wave function symmetrization is also given. The method is tested for quantum harmonic oscillators. For both the boson and fermion cases, the grand potential and the average energy obtained by numerical quadrature over classical phase space are shown to agree with the known analytic results. A mean field approximation is given which is suitable for condensed matter, and which allows the quantum statistical mechanics of interacting particles to be obtained in classical phase space.
The path integral technique is used to derive a possible expression for the density operator of the fermionic harmonic oscillator. In terms of the Grassmann variables, the fermionic density operator can be written as: ρF(β)=c∗(β)c(β)±c∗(β)c(β)e−βωρ_F (β)=c^* (β)c(β) \pm c^*(β)c(β)e^{-βω}ρF​(β)=c∗(β)c(β)±c∗(β)c(β)e−βω, where +(-) means that the sum over all antiperiodic (periodic) orbits. Our density operator is then used to obtain the usual fermionic partition function which describes the fermionic oscillator in thermal equilibrium. Also, according to the periodic orbit c(β)=c(0)c(β)=c(0)c(β)=c(0), the graded fermionic partition function is obtained.
Abstract In Chapter 2, a path integral representation of the quantum operator e-β H in the case of Hamiltonians H of the separable form p2/2m + V(q) has been constructed. Here, the construction is extended to Hamiltonians that are more general functions of phase space variables. This results in integrals over paths in phase space involving the action expressed in terms of the classical Hamiltonian H(p,q). However, it is shown that, in the general case, the path integral is not completely defined, and this reflects the problem that the classical Hamiltonian does not specify completely the quantum Hamiltonian, due to the problem of ordering quantum operators in products. When the Hamiltonian is a quadratic function of the momentum variables, the integral over momenta is Gaussian and can be performed. In the separable example, the path integral of Chapter 2 is recovered. In the case of the charged particle in a magnetic field a more general form is found, which is ambiguous, since a problem of operator ordering arises, and the ambiguity must be fixed. Hamiltonians that are general quadratic functions provide other important examples, which are analysed thoroughly. Such Hamiltonians appear in the quantization of the motion on Riemannian manifolds. There, the problem of ambiguities is even more severe. The problem is illustrated by the analysis of the quantization of the free motion on the sphere SN−1.
Abstract The connection between statistical mechanics on the one side and quantum mechanics and quantum field theory on the other side is based on the analogy between thermal and quantum fluctuations. Formally, the connection is expressed through the mathematical equivalence between the partition function in statistical mechanics and the propagator in quantum field theory. This chapter explores the equivalence between statistical mechanics and quantum mechanics or quantum field theory in general terms using the Feynman path integral and with the example of the equivalence between the classical XY Heisenberg model and the sigma model of quantum field theory. Invoking the concepts of the partition function and the transfer matrix, an example demonstrates the passage from the quantum mechanics of a single degree of freedom, a zero-dimensional system, to the statistical mechanics of a one-dimensional system represented by classical variables.