Related papers: Approximate method of free energy calculation for …
We discuss the energy distribution of free-electron Fermi-gas, a problem with a textbook solution of Gaussian energy fluctuations in the limit of a large system. We find that for a small system, characterized solely by its heat capacity…
The absolute free energy -- or partition function, equivalently -- of a molecule can be estimated computationally using a suitable reference system. Here, we demonstrate a practical method for staging such calculations by growing a molecule…
We study the spin glass system consisting of a Random Energy Model coupled with a random magnetic field. This system was investigated by de Oliveira Filho, da Costa and Yokoi (Phys. Rev. E 74 [2006]) who computed the free energy. In this…
We consider a one-dimensional lattice system of unbounded, real-valued spins. We allow arbitrary strong, attractive, nearest-neighbor interaction. We show that the free energy of the canonical ensemble converges uniformly in $C^2$ to the…
We consider a binary system of small and large spheres of finite size in a continuous medium interacting via a non-negative potential. We work in the canonical ensemble and compute upper and lower bound for the free energy at finite and…
Effective-field-theory methods are used to separate the free energy for a nonabelian gauge theory at high temperature $T$ into the contributions from the momentum scales $T$, $gT$, and $g^2T$, where $g$ is the coupling constant at the scale…
Free energy sampling methods allow studying the full dynamics of activated processes. Unfortunately, the affordable accuracy of the potential describing the energy and forces of the system is usually rather low. Here we introduce a new…
The Casimir free energy for a system of two dielectric concentric nonmagnetic spherical bodies is calculated with use of a quantum statistical mechanical method, at arbitrary temperature. By means of this rather novel method, which turns…
We introduce a straightforward, single-ensemble, path sampling approach to calculate free energy differences based on Jarzynski's relation. For a two-dimensional ``toy'' test system, the new (minimally optimized) method performs roughly one…
We devise automated workflows for the calculation of Helmholtz and Gibbs free energies and their temperature and pressure dependence and provide the corresponding computational tools. We employ non-equilibrium thermodynamics for evaluating…
In the molecular dynamics calculations for the free energy of ions and ionic molecules, we often encounter wet charged molecular systems where electrical neutrality condition is broken. This causes a problem in the evaluation of…
We study a diluted mean-field spin glass model with a quadratic Hamiltonian. Our main result establishes the limiting free energy in terms of an integral of a family of random variables that are the weak limits of the quenched variances of…
We discuss the problem of partitioning a macroscopic system into a collection of independent subsystems. The partitioning of a system into replica-like subsystems is nowadays a subject of major interest in several field of theoretical and…
A previously introduced real space renormalization-group treatment of the random transverse-field Ising spin chain is extended to provide detailed information on the distribution of the energy gap and the end-to-end correlation function for…
We develop a scheme to exactly evaluate the correlation energy in the random-phase approximation, based on linear response theory. It is demonstrated that our formula is completely equivalent to a contour integral representation recently…
We consider the free energy of a mean-field quantum spin glass described by a $ p $-spin interaction and a transversal magnetic field. Recent rigorous results for the case $ p= \infty $, i.e. the quantum random energy model (QREM), are…
We consider a simple model to describe the widths of the mode locked intervals for the critical circle map. Using two different partitions of the rational numbers, based on Farey series and Farey tree levels respectively, we calculate the…
Applying the previously developed systematic thermal (imaginary time) perturbative expansion to the relevant effective field theory we compute the free energy $F$ of the diluted gas of (nonrelativistic) spin $1/2$ fermions interacting…
In this paper we study multi-matrix models whose potentials are perturbations of the quadratic potential associated with independent GUE random matrices. More precisely, we compute the free energy and the expectation of the trace of…
For classical discrete systems under constant composition typically refferred to substitutional alloys, we propose calculation method of Helmholtz free energy based on a set of special microscopic states. The advantage of the method is that…