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.
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.
Review of quantum statistical mechanicsThermodynamics is used to describe the bulk properties of matter in or near equilibrium.Many scientists, notably Boyle, Carnot, Clausius, Gay-Lussac, Gibbs, Joule, Kelvin, and Rumford, contributed to the development of the field over three centuries.Quantities such as mass, pressure, energy, and so on are readily defined and measured.Classical statistical mechanics attempts to understand thermodynamics by the application of classical mechanics to the microscopic particles making up the system.Great progress in this field was made by physicists like Boltzmann and Maxwell.Temperature, entropy, particle number, and chemical potential are thus understandable in terms of the microscopic nature of matter.Classical mechanics is inadequate in many circumstances however, and ultimately must be replaced by quantum mechanics.In fact, the ultraviolet catastrophe encountered by the application of classical mechanics and electromagnetism to blackbody radiation was one of the problems that led to the development of quantum theory.The development of quantum statistical mechanics was achieved by a number of twentieth century physicists, most notably Planck, Einstein, Fermi, and Bose.The purpose of this chapter is to give a mini-review of the basic concepts of quantum statistical mechanics as applied to noninteracting systems of particles.This will set the stage for the functional integral representation of the partition function, which is a cornerstone of modern relativistic quantum field theory and the quantum statistical mechanics of interacting particles and fields. EnsemblesOne normally encounters three types of ensemble in equilibrium statistical mechanics.The microcanonical ensemble is used to describe an isolated system that has a fixed energy E, a fixed particle number N , and a fixed 1
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.
We have thus far looked at the classical statistical mechanics of a collection of Ising spins in terms of their partition function. We have seen how to extract the free energy per site and correlation functions of the d = 1 Ising model. We will now consider a second way to do this. While the results are, of course, going to be the same, the method exposes a deep connection between classical statistical mechanics in d = 1 and the quantum mechanics of a single spin-12 particle. This is the simplest way to learn about a connection that has a much wider range of applicability: the classical statistical mechanics of a problem in d dimensions may be mapped on to a quantum problem in d – 1 dimensions. The nature of the quantum variable will depend on the nature of the classical variable. In general, the allowed values of the classical variable ( s =±1 in our example) will correspond to the maximal set of simultaneous eigenvalues of the operators in the quantum problem ( σz in our example). Subsequently we will study a problem where the classical variable called x lies in the range –∞ < x < ∞ and will correspond to the eigenvalues of the familiar position operator X that appears in the quantum problem. The correlation functions will become the expectation values in the ground state of a certain transfer matrix . The different sites in the d = 1 lattice will correspond to different, discrete, times in the life of the quantum degree of freedom. By the same token, a quantum problem may be mapped into a statistical mechanics problem in one-higher dimensions, essentially by running the derivation backwards. In this case the resulting partition function is also called the path integral for the quantum problem. There is, however, no guarantee that the classical partition function generated by a legitimate quantum problem (with a Hermitian Hamiltonian) will always make physical sense: the corresponding Boltzmann weights may be negative, or even complex! In the quantum mechanics we first learn, time t is a real parameter. For our purposes we also need to get familiar with quantum mechanics in which time takes on purely imaginary values t = –iτ , where τ is real. It turns out that it is possible to define such a Euclidean quantum mechanics .
In the first three chapters we have considered problems related to the physical behaviour of one or a few particles (or some other physical objects which can be effectively described by one or a few (quasi)particles as, e.g., the random walk model in polymer physics considered in chapter 1). Though quantum field theory describes systems with an arbitrary number of degrees of freedom (an arbitrary number of (quasi)particles), in chapter 3 we actually applied it to systems with a restricted and small number of particles (e.g., for the description of the scattering process for a few particles). Another way to express this fact is to say that in chapter 3 we have considered field theories at zero temperature. However, the majority of realistic systems contain many identical (indistinguishable) particles such as atoms, electrons, photons etc. An attempt to describe these systems in terms of the individual trajectories of all particles is absolutely hopeless. Instead, we are interested in the collective behaviour of systems and describe them in terms of partition functions, mean values, correlation functions, etc. The methods of derivation, analysis and calculation of such collective characteristics constitute the subject of classical and quantum statistical mechanics.
Classical statistical mechanics/thermodynamics is sometimes portrayed as an approximate approach to describing the classical mechanical motion of very large numbers of particles. Equilibrium statistical mechanics/thermodynamics, however, is a special situation in which thermodynamic averages such as temperature, pressure etc do not change in time. We argue in this note that this is due to constraints imposed on such equilibrium scenarios namely time reversal reaction balance. It is this (approximate) constraint which yields the Maxwell-Boltzmann distribution which in turn defines average values of classical values e.g. pressure resulting from an average of bvv (b=constant) and temperature being related to average kinetic energy. Interestingly, average values such as average energy and pressure may yield a classical mechanical relationship for adiabatic processes, otherwise the more complicated dE=TdS - PdV applies to these averages. (To be more accurate one may use the constraints of microcanonical theory.) Quantum mechanics is also a statistical theory because a single particle with a fixed momentum is characterized by a physical wavelength region and a probability distribution exp(ipx). If interactions occur with potential regions a superposition of these distributions (i.e. a momentum superposition) occurs i.e. W(x)= Sum over p a(p)exp(ipx). This represents one constraint in quantum mechanics), but there is a second, namely that averages for a bound system match classical values. Thus, like classical statistical mechanics one may imagine a system characterized by a parameter say L (box length) which changes such that the particle stays in the same quantum state (i.e. an adiabatic change). Given that bound quantum mechanics is constrained to behave on average as a classical system it is not surprising that a dE=PdV which is essentially a Newton’s second law statement dE=Fdx and is not necessarily linked to a usual statistical system. If a quantum state has its parameter changed nonadiabatically it should be able to have it change into a superposition of new quantum states (new L) which is very different from the classical statistical mechanical scenario. Furthermore the ideal gas relationship PV=NRT and E=3/2NRT (3 degrees of freedom) or PV=(⅔)E matches a classical mechanical result because a particle with p may bounce from a wall yielding an impulse. In this note we try to examine some of these underlying constraints and argue that even dE=PdV for average E and P values (i.e. no entropy change) one must be aware of the specific constraints involved. In other words because dE=PdV for both adiabatic classical statistical mechanical systems and a quantum eigenstate, these do not necessarily represent the same statistical type of physics. We further argue that quantum mechanical bound states are constrained to have some average and rms values such as KE(x) and p rms behave as classical values and so these should not be taken to represent “intrinsic” quantum behaviour while average spatial density on the other hand does. (It is linked to the constraint of wavelength.)
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.