A general formalism for the calculation of cavitation energies in the framework of the scaled particle theory has been implemented in the Polarizable Continuum Model (PCM), contributing to the nonelectrostatic part of the molecular free energy in solution. The solute cavity and the solvent molecules are described as hard spherocylinders, whose radius and length are related to the actual molecul...

Equation of state for partially ionized carbon at temperatures T & 10 K is calculated in a wide range of densities, using the method of free energy minimization in the framework of the chemical picture of plasmas. The free energy model includes the internal partition functions of bound species. The latter are calculated by a self-consistent treatment of each ionization stage in the plasma envir...

Social free energy has been recently introduced as a measure of social action obtainable in a given social system, without changes in its structure. The authors of this paper argue that social free energy surpasses the gap between the verbally formulated value sets of social systems and the quantitatively based predictions. This point is further developed by analyzing the relation between the s...

A recent analysis of Mark and van Gunsteren has questioned the validity of separating different free energy components in proteins, or indeed in any complex system. The separability of free energy terms is re-examined from both a theoretical and a numerical perspective. Using a power series expansion of the free energy, it is found that the leading terms are free energy components that arise fr...

Current theories of heteropolymers are inherently macroscopic, but are applied to mesoscopic proteins. To compute the free energy over sequences, one assumes self-averaging--a property established only in the macroscopic limit. By enumerating the states and energies of compact 18, 27, and 36mers on a lattice with an ensemble of random sequences, we test the self-averaging approximation. We find...

2014 Within Landau theory of phase transitions in A2BX4 2014 type crystals we introduce in the free energy a new third-order Umklapp term. In the incommensurate phase this term can induce a new phase transition connected with a rotation of the wave vector of modulation away from the a* direction. The electrostatic energy in these improper ferroelectrics could induce in fact a zig-zag domain-wal...

We study spin glasses with the Kac-type interaction potential for small but finite inverse interaction range γ. Using the theoretical set-up of coupled replicas, through the replica method we argue that the probability of overlap profiles can be expressed for small γ through a large deviation functional. This result is supported by rigorous arguments, showing that the large deviation functional...

We consider the thermodynamics of minimally coupled massive scalar field in 3+1 dimensional Taub-NUT background. The brick wall model of 't Hooft is used. A quantization condition on the energy of the matter field, similar to the Dirac quantization condition, is required to find well behaved solution of the scalar field wave equation.When Scharzschild like coordinates are used it is found that ...

We evaluate the free energy of the random cluster model at its critical point for 0 < q < 4 using an exact result due to Baxter, Temperley and Ashley, and obtain an explicit expression in the form of an infinite series. It is found that the resulting series expression assumes a form which depends on whether or not π/2 cos−1( √ q/2) is a rational number. As a by-product, our consideration leads ...

Abstract We exhibit a class of integer spin systems whose free energy can be written in term of an absolutely convergent series at any temperature. This class includes spin systems on Z interacting through infinite range pair potential polynomially decaying at large distances r at a rate 1/r with ε > 0. It also contains the Blume-Emery-Griffiths model in the disordered phase at large values of ...