We present a unified formulation for quantum statistical physics based on the representation of the density matrix as a functional integral. For quantum statistical (thermal) field theory, the stochastic variable of the statistical theory is a boundary field configuration. We explore the properties of an effective theory for such boundary configurations and apply it to the computation of the partition function of an interacting one-dimensional quantum-mechanical system at finite temperature. Plots of free energy and specific heat show excellent agreement with more involved semiclassical results. The method of calculation provides an alternative to the usual sum over periodic trajectories: it sums over paths with coincident end points and includes nonvanishing boundary terms. An appropriately modified expansion into modified Matsubara modes is presented.
We present a unified formulation for quantum statistical physics based on the representation of the density matrix as a functional integral. For quantum statistical (thermal) field theory, the stochastic variable of the statistical theory is a boundary field configuration. We explore the properties of an effective theory for such boundary configurations and apply it to the computation of the partition function of an interacting one-dimensional quantum-mechanical system at finite temperature. Plots of free energy and specific heat show excellent agreement with more involved semiclassical results. The method of calculation provides an alternative to the usual sum over periodic trajectories: it sums over paths with coincident end points and includes nonvanishing boundary terms. An appropriately modified expansion into modified Matsubara modes is presented.
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.
Quantum statistical mechanics has developed primarily through two approaches, pioneered by Gibbs and Feynman, respectively. In Gibbs' method one calculates partition functions from phase-space integrations or sums over stationary states. Alternatively, in Feynman's approach, the focus is on the path-integral formulation. The Hubbard-Stratonovich transformation leads to a functional-integral formulation for calculating partition functions. We outline here the functional integral approach to quantum statistical mechanics, including generalizations and improvements to Hubbard's formulation. We show how the dimensionality of the integrals is reduced exactly, how the problem of assuming an unknown canonical transformation is avoided, how the reality of the partition function in the complex representation is guaranteed, and how the extremum conditions are simplified. This formulation can be applied to general systems, including superconductors.
This chapter focuses on Quantum Mechanics and Quantum Field Theory in a euclidean formulation. This means that, in general, it discusses the matrix elements of the quantum statistical operator eβH (the density matrix at thermal equilibrium), where H is the hamiltonian and β is the inverse temperature. The chapter begins by first deriving the path integral representation of matrix elements of the quantum statistical operator for hamiltonians of the simple form p 2/2m + V (q). Comparing classical statistical physics in one space dimension and quantum statistical physics of the particle, it introduces statistical correlation functions and discusses their quantum interpretation. It then explicitly calculates the path integral corresponding to a harmonic oscillator in a time-dependent external force. This result can be used to reduce the evaluation of path integrals in the case of analytic potentials to perturbation theory. The chapter shows on a first example that path integrals are especially well suited to the study of the classical limit, by relating a quantum and classical partition function. The appendix explains some general properties of the two-point function, and use the semi-classical approximation of the partition function to derive Bohr–Sommerfeld's quantization condition.
We establish a rather deep relation between statistical mechanics and quantum mechanics at an imaginary time. For the quantum field theory, this implies a relation between finite temperature quantum field theory in Minkowski space and quantum field theory in Euclidean space with one compact Euclidean time direction. The quantum mechanical language being a proper formulation of statistical physics as a molecular theory is basically the study of quantum equilibrium as well as non-equilibrium systems. A quantum system found in a thermodynamic equilibrium state with an external classical system (thermostat or thermal reservoir) may be characterized by fixed values of thermodynamic parameters of the system, say, for example, temperature T , volume V and number of particles N . In this way the total energy of the thermostat is assumed to be much greater than the energy of the system. The behavior of the quantum system may be assumed to be independent of the nature of the thermostat. The most convenient object of the quantum theory to describe such non-isolated systems is the density matrix since the partition function does not determine any local thermodynamic quantities. It is for this reason that we introduced quantum mechanical and quantum statistical density matrices which are necessary to do the investigation via path integration. This enables us to make a transition to the quasi-classical approximation of quantum statistical mechanics, which, in turn, enables us to evaluate the first quantum correction to the classical Boltzmann distribution function.
In this paper, four distinct ideas are combined, which under a wide range of circumstances can give very rapidly converging series expansions for functional integrals. (1) Expansion of the functional being integrated in functional Taylor series. In the familiar case arising in quantum statistical mechanics, that of the Wiener integral of exp[−∫V(x(t))dt],V(x) being the perturbing potential, this is equivalent to expanding the characteristic functional of the probability functional of V(x(t)) in central moments of V(x(t)). The lowest-order term of the series is the approximation obtained by Feynman and Hibbs through a variational method. (2) Transfer of the harmonic term of the potential, when the functional integral is the quantum-statistical density matrix (Green's function of the Bloch equation), to the weighting function. This transforms the functional integral from a Wiener to an Uhlenbeck-Ornstein integral. The formal expressions for the terms of the expansion are somewhat more complicated, but they can be worked out, and the result is a great improvement in the speed of convergence of the series with decreasing temperature and/or decreasing relative magnitude of the anharmonic part of the potential. (3) ``Reservation of variables'' in the integration. This amounts to breaking the averaging process down into an average over subsets of the distributed random function (conditional average), followed by an averaging of these averages. Any step of this kind (it may be repeated within the subsets, etc.) gives an improvement of accuracy. (4) When the quantity being evaluated through functional integration is the partition function, the device introduced by Feynman and Hibbs, of interchanging the functional integration with the integration of the Green's function over the equated initial and final configuration-space points, may be combined with the above techniques. This eliminates one integration in the terms of the expansion and seems to improve accuracy at the same time. The general series obtained is correlated with more conventional operator techniques of quantum-mechanical perturbation theory, in order to answer the perennial question, does the path-integral method bring with it anything that could not be derived by other methods? It is in some sense a Feynman-Dyson expansion of the Green's function, but one that is further modified mathematically in a way characteristic only of the path-integral point of view, and which, moreover, improves its accuracy. It thus appears unlikely that the result is merely one of standard type disguised as a functional integral result. Sample numerical calculations are given to assay the accuracy of the methods, which are shown to compare very favorably with the traditional approximation of finite subdivision of the time interval.
The quantum field theory in one space + one time dimension described by the Lagrangian $\mathfrak{L} = (\frac{i}{2}){\ensuremath{\varphi}}^{*}{\stackrel{}{\ensuremath{\partial}}}_{0}\ensuremath{\varphi}\ensuremath{-}({\ensuremath{\partial}}_{1}{\ensuremath{\varphi}}^{*})({\ensuremath{\partial}}_{1}\ensuremath{\varphi})\ensuremath{-}c{|\ensuremath{\varphi}|}^{4}$ is studied for systems with finite temperature and particle density. Using momentum-space techniques previously developed, a graphical procedure is obtained for calculating inner products of many-particle scattering state wave functions. The unitarity of the wave operator $U(0,\ensuremath{-}\ensuremath{\infty})$ is demonstrated as a pattern of graphical cancellations. An operator formulation of statistical mechanics is derived in which partition functions are given in terms of matrix elements having the form of diagonal (forward) inner products. The importance of noncommutativity of the forward limit and the $i\ensuremath{\epsilon}\ensuremath{\rightarrow}0$ limit is noted and traced to the presence of forward singular graphs in the inner product. Combining this observation with wave-operator unitarity, we obtain a graphical recipe for calculating N-body partition functions. The thermodynamics first described by Yang and Yang is obtained by summation of the fugacity series for the grand partition function.