Related papers: Integral Equation Theory for Pair Correlation Func…
The formula for the correlation function of spin measurements of two particles in two moving inertial frames is derived within Lorentz-covariant quantum-mechanics formulated in the absolute synchronization framework. The results are the…
A fast, parallel algorithm for distant-dependent calculation and simulation of crystal properties is presented along with speedup results and methods of application. An illustrative example is used to compute the Lennard-Jones lattice…
The density functional scheme for calculating the pair density is presented by means of the constrained-search technique. The resultant single-particle equation takes the form of the modified Hartree-Fock equation which contains the kinetic…
Crystal graphs are powerful combinatorial tools for working with the plactic monoid and symmetric functions. Quasi-crystal graphs are an analogous concept for the hypoplactic monoid and quasi-symmetric functions. This paper makes a…
The complete knowledge of a theory is encoded in its correlation functions. Thus non-perturbative effects, like confinement in QCD, is necessarily contained in these correlation functions. As a consequence, a number of confinement scenarios…
Direct correlation functions (DCFs), linked to the second functional derivative of the free energy with respect to the one-particle density, play a fundamental role in a statistical mechanics description of matter. This holds in particular…
We consider the procedure for calculating the pair correlation function in the context of the Cluster Variation Methods. As specific cases, we study the pair correlation function in the paramagnetic phase of the Ising model with nearest…
A combination of classical density-functional theory and thermodynamic perturbation theory is applied to a survey of finite-temperature trends in the relative stabilities of one-component crystals and quasicrystals interacting via effective…
The availability of neutron spallation-source instruments that provide total scattering powder diffraction has led to an increased application of real-space structure analysis using the pair distribution function. Currently, the analytical…
A new approach to thermodynamics of simple fluids is presented. The partition function is first expressed in the reciprocal space, it is argued that the links (p,q) between 2 molecules can reasonably in the thermodynamical limit be…
In this short note, we reformulate the task of calculating the pair correlation statistics of a Kronecker sequence as a lattice point counting problem. This can be done analogously to the lattice based approach which was used to (re-)prove…
The relation between the notion of crystalline symmetry and characteristic time intervals when this symmetry could be observed is analyzed. Several time scales are shown to exist for a system of interacting particles. It is only when the…
Efficient computation of lattice defect geometries such as point defects, dislocations, disconnections, grain boundaries, interfaces and free surfaces requires accurate coupling of displacements near the defect to the long-range elastic…
We applied the analysis of x-ray intensity angular correlation function to dilute ensembles of identical spinel crystals. Firstly, we show that the angular correlation from measured diffraction patterns with many crystals per shot converges…
We extract a pair correlation function (PCF) from probability distributions of the spin-overlap parameter q. The distributions come from Monte Carlo simulations. A measure, w, of the thermal fluctuations of magnetic patterns follows from…
Coulomb integrals, i.e., matrix elements of bare or screened Coulomb interaction between one-electron orbitals, are fundamental objects in many approaches developed to tackle the challenging problem of calculating the electronic structure…
Crystalline symmetries give rise to topological invariants that can distinguish quantum phases of matter. Understanding these in strongly interacting systems is an ongoing research direction requiring non-perturbative methods. Recent…
The problem of calculating real-time correlation functions is formulated in terms of an imaginary-time partial differential equation. The latter is solved analytically for the perturbed harmonic oscillator and compared with the known exact…
Four point correlation functions for many electrons at finite temperature in periodic lattice are analyzed by the perturbation theory with respect to the coupling constant. The correlation functions are characterized as a limit of finite…
Previously, it has been shown that the direct correlation function for a Lennard-Jones fluid could be modeled by a sum of that for hard-spheres, a mean-field tail and a simple linear correction in the core region constructed so as to…