相关论文: Physical meaning of the Ewald sum method
The basic results in calculations of the thermodynamic functions of electromagnetic field in the background of a dilute dielectric ball at zero and finite temperature are presented. Summation over the angular momentum values is accomplished…
A non-perturbative calculation of the effective thermal potential between heavy $Q$ and $\bar Q$ from lattice QCD is difficult, and usually involves a Bayesian analysis. Here we present a simple method to obtain the potential from smeared…
We calculate the mass shift and thermal decay width of the $J/\psi$ near the QCD transition temperature $T_c$ by imposing two independent constraints on these variables that can be obtained first by solving the Schr\"odinger equation and…
By using the recently generalized version of Newton Shell Theorem analytical equations are derived to calculate the electric interaction energy between two separated charged spheres surrounded outside and inside by electrolyte. This…
Using the QCD sum rule with its operator product expansion reliably estimated from lattice calculations for the pressure and energy density of the quark-gluon plasma, we calculate the strength of the wave function of J/psi at the origin and…
The features for the unsteady process of thermal equilibration ("the fast motions") in a one-dimensional harmonic crystal lying in a viscous environment (e.g., a gas) are under investigation. It is assumed that initially the displacements…
The fast Ewald methods are widely used to compute the point-charge electrostatic interactions in molecular simulations. The key step that introduces errors in the computation is the particle-mesh interpolation. In this work, the optimal…
The form of the Coulomb potential of a point in a noncommutative geometry is investigated. A distinction is made between measured distance and "coordinate" distance. The "effective" value of an operator is defined as its expectation value…
The Gaussian wavefunctional approach is developed in thermofield dynamics. We manufacture thermal vacuum wavefunctional, its creation as well as annihilation operators,and accordingly thermo-particle excited states. For a (D+1)-dimensional…
The electrocaloric effect refers to the temperature change in a material when an electric field is applied or removed. Significant breakthroughs revealed its potential for solid-state cooling technologies in past decades. These devices…
A unified treatment for fast and spectrally accurate evaluation of electrostatic potentials subject to periodic boundary conditions in any or none of the three spatial dimensions is presented. Ewald decomposition is used to split the…
An instant homogeneous thermal perturbation in the finite harmonic one-dimensional crystal is studied. Previously it was shown that for the same problem in the infinite crystal the kinetic temperature oscillates with decreasing amplitude…
In the first two papers in this series, we developed new shifted potential (SP), gradient shifted force (GSF), and Taylor shifted force (TSF) real-space methods for multipole interactions in condensed phase simulations. Here, we discuss the…
Free energy of crystal phases is commonly evaluated by thermodynamic integration (TDI) along a reversible path that involves an external potential. A persistent problem in this method is that a significant hysteresis is observed due to…
Based on Stillinger's version of cell cluster theory, we derive an expression for the equilibrium concentration of thermal monovacancies in solids which allows for a transparent interpretation of the vacancy volume and the…
In medium T-matrix calculations for symmetric nuclear matter at zero and finite temperatures are presented. The internal energy is calculated from the Galitskii-Koltun's sum rule and from the summation of the diagrams for the interaction…
We introduce a general technique to compute finite temperature electronic properties by a novel covariant formulation of the electronic partition function. By using a rigorous variational upper bound to the free energy we are led to the…
A fractal approach to numerical analysis of electromagnetic space-time crystals, created by three standing plane harmonic waves with mutually orthogonal phase planes and the same frequency, is presented. Finite models of electromagnetic…
By using the generalized version of the Shell Theorem analytical equations are derived to calculate the electric energy of a charged sphere and the field energy of the electrolyte inside and around the sphere. These electric energies are…
The vibrational entropy of a solid at finite temperature is investigated from the perspective of information theory. Ab initio molecular dynamics (AIMD) simulations generate ensembles of atomic configurations at finite temperature from…