A pedagogical approach for deriving the statistical mechanical partition function, in a manner that emphasizes the key role of entropy in connecting the microscopic states to thermodynamics, is introduced. The connections between the combinatoric formula $S= k \ln W$ applied to the Gibbs construction, the Gibbs entropy, $S = -k \sum\limits_i p_i \ln p_i$, and the microcanonical entropy expression $S= k \ln Ω$ are clarified. The condition for microcanonical equilibrium, and the associated role of the entropy in the thermodynamic potential is shown to arise naturally from the postulate of equal {\itshape a priori} states. The derivation of the canonical partition function follows simply by invoking the Gibbs ensemble construction at constant temperature and using the first and second law of thermodynamics (\emph{via} the fundamental equation $dE = TdS - PdV + μdN$) that incorporate the conditions of conservation of energy and composition without the needs for explicit constraints; other ensemble follow easily. The central role of the entropy in establishing equilibrium for a given ensemble emerges naturally from the current approach. Connections to generalized ensemble theory also arise and are presented in this context.
A thermodynamic expression for the analog of the canonical ensemble for nonequilibrium systems is described based on a purely information theoretical interpretation of entropy. As an application, it is shown that this nonequilibrium canonical distribution implies some important results from nonequilibrium thermodynamics, specifically, the fluctuation theorem and the Jarzynski-equality.
The problem of integer partitions is addressed using the microcanonical approach which is based on the analogy between this problem in the number theory and the calculation of microstates of a many-boson system. For ordinary (one-dimensional) partitions, the correction to the leading asymptotic is obtained. The estimate for the number of two-dimensional (plane) partitions coincides with known asymptotic results.
Lee-Yang and Fisher zeros are crucial for the study of phase transitions in the grand canonical and the canonical ensembles, respectively. However, these powerful methods do not cover the isothermal-isobaric ensemble (NPT ensemble), which reflects the conditions of many experiments. In this work we present a theory of the phase transitions in terms of the zeros of the NPT-ensemble partition functions in the complex plane. The proposed theory provides an approach to calculate all the partition function zeros in the NPT ensemble, which form certain curves in the thermodynamic limit. To verify th…
We develop a regularization of the quantum microcanonical ensemble, called a Gaussian ensemble, which can be used for derivation of the canonical ensemble from microcanonical principles. The derivation differs from the usual methods by giving an explanation for the, at the first sight unreasonable, effectiveness of the canonical ensemble when applied to certain small, isolated, systems. This method also allows a direct identification between the parameters of the microcanonical and the canonical ensemble and it yields simple indicators and rigorous bounds for the effectiveness of the approxima…
We obtain exact closed-form expressions for the partition function of the one-dimensional Ising model in the fixed-$M$ ensemble, for three commonly-used boundary conditions: periodic, antiperiodic and Dirichlet. These expressions allow for the determination of fluctuation-induced forces in the canonical ensemble, which we term Helmholtz forces. The thermodynamic expressions and the calculations flowing from them should provide insights into the nature and behavior of fluctuation induced forces in interesting and as-yet unexplored regimes.
Microcanonical ensemble theory of bosons is derived from quantum mechanics by making use of a hidden gauge structure. The relative phase interaction associated with this gauge structure, described by the Pegg-Barnett formalism, is shown to lead to perfect decoherence in the thermodynamics limit and the principle of equal a priori probability, simultaneously.
A coherent state path integral is considered for bosons with an ensemble average of a random potential and with an additional, repulsive interaction in the context of BEC under inclusion of specially prepared disorder. The essential normalization of the coherent state path integral, as a generating function of observables, is obtained from the non-equilibrium time contour for 'forward' and 'backward' propagation so that a time contour metric has to be taken into account in the ensemble average with the random potential. Therefore, the respective symmetries for the derivation of a nonlinear sig…
Starting from the quantum mechanics for $N$ particles, we show that we can directly derive the microcanonical ensemble average of the physical quantity $A$ by using only the long time average and the equal probability assumption for the equal energy states. The system is considered to be embedded in the outer world and we describe them in terms of the density matrix method.
Proposed is an alternative method for permutational sampling in quantum gases using the path integral formulation of statistical mechanics. It is shown that in principle we are able to use two operators which enable us to construct a Markov chain through a graph of the irreducible representation of the symmetric group. As an illustration of this method, a test calculation of four particles in a harmonic trap is performed.
We consider bosonic atoms with a repulsive contact interaction in a trap potential for a Bose-Einstein condensation and additionally include a random potential. The ensemble averages for two models of static and dynamic disorder are performed and investigated in parallel. The bosonic many body systems of the two disorder models are represented by coherent state path integrals on the Keldysh time contour which allow exact ensemble averages for zero and finite temperatures. These ensemble averages of coherent state path integrals therefore present alternatives to replica field theories or supers…
Statistics of distinguishable particles has become relevant in systems of colloidal particles and in the context of applications of statistical mechanics to complex networks. When studying these type of systems with the standard textbook formalism, non-physical results such as non-extensive entropies are obtained. In this paper, we will show that the commonly used expression for the partition function of a system of distinguishable particles leads to huge fluctuations of the number of particles in the grand canonical ensemble and, consequently, to non-equivalence of statistical ensembles. We w…
We review various derivations of the partition function of the two-dimensional Ising Model of ferromagnetism and proofs of the stability of matter, paying attention to passages where there would appear to be a lacuna between steps or where the structure of the argument is not so straightforward. Authors cannot include all the intermediate steps, but sometimes most readers and especially students will be mystified by such a transition. Moreover, careful consideration of such lacunae points to interesting physics and not only mathematical technology. Also, when reading the original papers, the s…
The diffusion coefficient--a measure of dissipation, and the entropy--a measure of fluctuation are found to be intimately correlated in many physical systems. Unlike the fluctuation dissipation theorem in linear response theory, the correlation is often strongly non-linear. To understand this complex dependence, we consider the classical Brownian diffusion in this work. Under certain rational assumption, i.e. in the bi-component fluid mixture, the mass of the Brownian particle $M$ is far greater than that of the bath molecule $m$, we can adopt the weakly couple limit. Only considering the firs…
We give a simple derivation of all $n$-point densities for the eigenvalues of the real Ginibre ensemble with even dimension $N$ as quaternion determinants. A very simple symplectic kernel governs both, the real and complex correlations. 1-and-2-point correlations are discussed in more detail. Scaling forms for large dimension $N$ are derived.
We present a novel derivation of the constraints required to obtain the underlying principles of statistical mechanics using a maximum entropy framework. We derive the mean value constraints by use of the central limit theorem and the scaling properties of Lagrange multipliers. We then arrive at the same result using a quantum free field theory and the Ward identities. The work provides a principled footing for maximum entropy methods in statistical physics, adding the body of work aligned to Jaynes's vision of statistical mechanics as a form of inference rather than a physical theory dependen…
A framework for relativistic thermodynamics and statistical physics is built by first exploiting the symmetries between energy and momentum in the derivation of the Boltzmann distribution, then using Einstein's energy-momentum relationship to derive a PDE for the partition function. It is shown that the extended Boltzmann distribution implies the existence of an inverse four-temperature, while the form of the partition function PDE implies the existence of a quantizable field theory of classical statistics, with hints of an associated gravity like gauge theory. An adaptation of the framework i…
We derive the microcanonical ensemble from the Maximum Entropy Principle (MEP) using the phase space volume entropy of P. Hertz. Maximizing this entropy with respect to the probability distribution with the constraints of normalization and average energy, we obtain the condition of constant energy. This approach is complementary to the traditional derivation of the microcanonical ensemble from the MEP using Shannon entropy and assuming a priori that the energy is constant which results in equal probabilities.
Theory of solutions in energy representation (ER method) developed by Matubayasi and Nakahara provides with an approximate way of calculating solvation free energies (or, identically, the excess chemical potentials) from atomistic simulations. In this document we provide some derivation details of this, to our opinion, theoretically involved method, which will help a non-specialist to follow. There are three points which differ this document from a regular textbook on statistical mechanics or research articles: 1) Derivation is detailed and all approximations are explicitly stated; 2) Statisti…
University of Houston（休斯顿大学）；Texas Center for Superconductivity, University of Houston（休斯顿大学德克萨斯超导中心）
We introduce an ensemble learning scheme for community detection in complex networks. The scheme uses a Machine Learning algorithmic paradigm we call Extremal Ensemble Learning. It uses iterative extremal updating of an ensemble of network partitions, which can be found by a conventional base algorithm, to find a node partition that maximizes modularity. At each iteration, core groups of nodes that are in the same community in every ensemble partition are identified and used to form a reduced network. Partitions of the reduced network are then found and used to update the ensemble. The smaller…
We derived the equation of the density operator for generalized entropy and generalized expectation value with quantum analysis when conserved quantities exist. The derived equation is simplified when the conventional expectation value is employed. The derived equation is also simplified when the commutation relations, $[\hatρ, \hat{H}]$ and $[\hatρ, \hat{Q}^{[a]}]$, are the functions of the density operator $\hatρ$, where $\hat{H}$ is the Hamiltonian, and $\hat{Q}^{[a]}$ is the conserved quantity. We derived the density operators for the von Neumann entropy, the Tsallis entropy, and the Rényi…
The grand canonical ensemble lies at the core of quantum and classical statistical mechanics. A small system thermalizes to this ensemble while exchanging heat and particles with a bath. A quantum system may exchange quantities represented by operators that fail to commute. Whether such a system thermalizes and what form the thermal state has are questions about truly quantum thermodynamics. Here we investigate this thermal state from three perspectives. First, we introduce an approximate microcanonical ensemble. If this ensemble characterizes the system-and-bath composite, tracing out the bat…
A possible quantum-mechanical origin of statistical mechanics is discussed, and microcanonical and canonical ensembles of bosons and fermions are derived from the stationary Schrödinger equation in a unified manner. The interaction Hamiltonians are constructed by the use of the discrete phase operators and the gauge-theoretical structure associated with them. It is shown how the interaction Hamiltonians stipulated by the gauge symmetry generate the specific patterns of entanglement that are desired for establishing microcanonical ensembles. A discussion is also made about the interrelation bet…
Models of non-interacting fermions coupled to auxilliary classical degrees of freedom are relevant to the understanding of a wide variety of problems in many body physics, {\it e.g.} the description of manganites, diluted magnetic semiconductors or strongly interacting electrons on lattices. Monte Carlo sampling over the classical fields is a powerful, yet notoriously challenging, method for this class of problems -- it requires the solution of the fermion problem for each classical field configuration. Conventional Monte Carlo methods minimally utilize the information content of these solutio…
We derive the microcanonical partition function of the ideal relativistic quantum gas with fixed intrinsic angular momentum as an expansion over fixed multiplicities. We developed a group theoretical approach by generalizing known projection techniques to the Poincare' group. Our calculation is carried out in a quantum field framework and applies to particles with any spin. It extends known results in literature in that it does not introduce any large volume approximation and it takes particle spin fully into account. We provide expressions of the microcanonical partition function at fixed mul…
The information processing capacity of a complex dynamical system is reflected in the partitioning of its state space into disjoint basins of attraction, with state trajectories in each basin flowing towards their corresponding attractor. We introduce a novel network parameter, the basin entropy, as a measure of the complexity of information that such a system is capable of storing. By studying ensembles of random Boolean networks, we find that the basin entropy scales with system size only in critical regimes, suggesting that the informationally optimal partition of the state space is achieve…
Fixing the number of particles $N$, the quantum canonical ensemble imposes a constraint on the occupation numbers of single-particle states. The constraint particularly hampers the systematic calculation of the partition function and any relevant thermodynamic expectation value for arbitrary $N$ since, unlike the case of the grand-canonical ensemble, traces in the $N$-particle Hilbert space fail to factorize into simple traces over single-particle states. In this paper we introduce a projection operator that enables a constraint-free computation of the partition function and its derived quanti…
In this paper, we first briefly review some recent results on the distribution of the maximal eigenvalue of a $(N\times N)$ random matrix drawn from Gaussian ensembles. Next we focus on the Gaussian Unitary Ensemble (GUE) and by suitably adapting a method of orthogonal polynomials developed by Gross and Matytsin in the context of Yang-Mills theory in two dimensions, we provide a rather simple derivation of the Tracy-Widom law for GUE. Our derivation is based on the elementary asymptotic scaling analysis of a pair of coupled nonlinear recursion relations. As an added bonus, this method also all…
We provide a variational derivation of the limit shape of minimal difference partitions and discuss the link with exclusion statistics. Also see arXiv:0707.2312 for a related paper.
A comprehensive and detailed account is presented for the finite-temperature many-body perturbation theory for electrons that expands in power series all thermodynamic functions on an equal footing. Algebraic recursions in the style of the Rayleigh-Schrödinger perturbation theory are derived for the grand potential, chemical potential, internal energy, and entropy in the grand canonical ensemble and for the Helmholtz energy, internal energy, and entropy in the canonical ensemble, leading to their sum-over-states analytical formulas at any arbitrary order. For the grand canonical ensemble, thes…
We derive the microcanonical partition function of the ideal relativistic quantum gas of spinless bosons in a quantum field framework as an expansion over fixed multiplicities. Our calculation generalizes well known expressions in literature in that it does not introduce any large volume approximation and it is valid at any volume. We discuss the issues concerned with the definition of the microcanonical ensemble for a free quantum field at volumes comparable with the Compton wavelength and provide a consistent prescription of calculating the microcanonical partition function, which is finite …
The distribution function of the free energy fluctuations in one-dimensional directed polymers with free boundary conditions is derived by mapping the replicated problem to the N-particle quantum boson system with attractive interactions. It is shown that in the thermodynamic limit this function is described by the universal Tracy-Widom distribution of the Gaussian orthogonal ensemble.
A system in equilibrium does not evolve -- time independence is its telltale characteristic. However, in Newtonian physics the microstate of an individual system (a point in its phase space) evolves incessantly in accord with its equations of motion. Ensembles were introduced in XIX century to bridge that chasm between continuous motion of phase space points in Newtonian dynamics and stasis of thermodynamics: While states of individual classical systems inevitably evolve, a phase space distribution of such states -- an ensemble -- can be time-independent. I show that entanglement (e.g., with t…
It is shown that for any ensemble, whether classical or quantum, continuous or discrete, there is only one measure of the "volume" of the ensemble that is compatible with several basic geometric postulates. This volume measure is thus a preferred and universal choice for characterising the inherent spread, dispersion, localisation, etc, of the ensemble. Remarkably, this unique "ensemble volume" is a simple function of the ensemble entropy, and hence provides a new geometric characterisation of the latter quantity. Applications include unified, volume-based derivations of the Holevo and Shannon…
In arXiv:0908.4052, Nekrasov and Shatashvili pointed out that the N=2 instanton partition function in a special limit of the Omega-deformation parameters is characterized by certain thermodynamic Bethe ansatz (TBA) like equations. In this work we present an explicit derivation of this fact as well as generalizations to quiver gauge theories. To do so we combine various techniques like the iterated Mayer expansion, the method of expansion by regions, and the path integral tricks for non-perturbative summation. The TBA equations derived entirely within gauge theory have been proposed to encode t…
We discuss partition function of 2d CFTs decorated by higher qKdV charges in the thermodynamic limit when the size of the spatial circle goes to infinity. In this limit the saddle point approximation is exact and at infinite central charge generalized partition function can be calculated explicitly. We show that leading 1/c corrections to free energy can be reformulated as a sum over Young tableaux which we calculate for the first two qKdV charges. Next, we compare generalized ensemble with the "eigenstate ensemble" that consists of a single primary state. At infinite central charge the ensemb…
The Generalized Gibbs Ensemble (GGE) is relevant to understand the thermalization of quantum systems with an infinite set of conserved charges. In this work, we analyze the GGE partition function of 2D Conformal Field Theories (CFTs) with a U(1) charge and quantum Benjamin-Ono$_{2}$ (qBO$_{2}$) hierarchy charges. We use the Alday-Gaiotto-Tachikawa (AGT) correspondence to express the thermal trace in terms of the Alba-Fateev-Litvinov-Tarnopolskiy (AFLT) basis of descendants, which diagonalizes all charges. We analyze the GGE partition function in the thermodynamic semiclassical limit, including…
The partition function for a canonical ensemble of 2D Coulomb charges in a background potential (the Dyson gas) is realized as a vacuum expectation value of a group-like element constructed in terms of free fermionic operators. This representation provides an explicit identification of the partition function with a tau-function of the 2D Toda lattice hierarchy. Its dispersionless (quasiclassical) limit yields the tau-function for analytic curves encoding the integrable structure of the inverse potential problem and parametric conformal maps. A similar fermionic realization of partition functio…
A lower bound on the grand partition function of a classical charge-symmetric system is adapted to the neutral grand canonical ensemble, in which the system is constrained to have zero total charge. This constraint permits us to consider two-body potentials that are only conditionally positive definite.
We study entanglement between the spin components of the Bardeen-Cooper-Schrieffer (BCS) ground state by calculating the full entanglement spectrum and the corresponding von Neumann entanglement entropy. The entanglement spectrum is effectively modeled by a generalized Gibbs ensemble (GGE) of non-interacting electrons, which may be approximated by a canonical ensemble at the BCS critical temperature. We further demonstrate that the entanglement entropy is jointly proportional to the pairing energy and to the number of electrons about the Fermi surface (an area law). Furthermore, the entangleme…
The partition function of a factor graph and the partition function of the dual factor graph are related to each other by the normal factor graph duality theorem. We apply this result to the classical problem of computing the partition function of the Ising model. In the one-dimensional case, we thus obtain an alternative derivation of the (well-known) analytical solution. In the two-dimensional case, we find that Monte Carlo methods are much more efficient on the dual graph than on the original graph, especially at low temperature.
