相关论文: Ion-ion correlations: an improved one-component pl…
The ion sphere model introduced long ago by Salpeter is placed in a rigorous theoretical setting. The leading corrections to this model for very highly charged but dilute ions in thermal equilibrium with a weakly coupled, one-component…
The classical one-component plasma (OCP) bounded by a spherical surface reflecting ions (BOCP) is studied using molecular dynamics (MD). Simulations performed for a series of sufficiently large BOCP's make it possible to establish the size…
The quasi-harmonic model proposes that a crystal can be modeled as atoms connected by springs. We demonstrate how this viewpoint can be misleading: a simple application of Gauss' law shows that the ion-ion potential for a cubic Coulomb…
A concentrated suspension of lamellar colloidal particles (e. g. clay) is modelled by considering a single, uniformly charged, finite platelet confined with co- and counterions to a Wigner-Seitz (WS) cell. The system is treated within…
We present a comprehensive study of the two dimensional one component plasma in the cell model with charged boundaries. Departing from weak couplings through a convenient approximation of the interacting potential we were able to obtain an…
We study the statistical mechanics of a multicomponent two-dimensional Coulomb gas which lives on a finite surface without boundaries. We formulate the Debye--Huckel theory for such systems, which describes the low-coupling regime. There…
We study the Gibbs equilibrium of a classical 2D Coulomb gas in the determinantal case = 2. The external potential is the sum of a quadratic term and the potential generated by individual charges pinned in several extended groups. This…
Surface sensitive synchrotron x-ray scattering studies were performed to obtain the distribution of monovalent ions next to a highly charged interface. A lipid phosphate (dihexadecyl hydrogen-phosphate) was spread as a monolayer at the…
We investigate the quantum many-body dynamics of dissociation of a Bose-Einstein condensate of molecular dimers into pairs of constituent bosonic atoms and analyze the resulting atom-atom correlations. The quantum fields of both the…
Accurately treating strong electron correlation in quantum chemistry typically requires multireference wave-function methods with steep computational scaling. The recently proposed i-DMFT method promises near configuration-interaction…
The free energy and other thermodynamic properties of hexagonal-close-packed iron are calculated by direct {\em ab initio} methods over a wide range of pressures and temperatures relevant to the Earth's core. The {\em ab initio}…
A systematic field theory is presented for charged systems. The one-loop level corresponds to the classical Debye-H\"uckel (DH) theory, and exhibits the full hierarchy of multi-body correlations determined by pair-distribution functions…
We review the properties of chaoticity and coherence in Bose-Einstein condensation and correlations, for a dense boson system in its mean-field represented approximately by a harmonic oscillator potential. The order parameter and the nature…
We examine the equilibrium properties of hot, dilute, non-relativistic plasmas. The partition function and density correlation functions of a classical plasma with several species are expressed in terms of a functional integral over…
We consider an ionic fluid made with two species of mobile particles carrying either a positive or a negative charge. We derive a sum rule for the fourth moment of equilibrium charge correlations. Our method relies on the study of the…
The Debye charging method is generalized to study the linear response properties of the asymmetric primitive model for electrolytes. Analytic results are obtained for the effective charge distributions of constituent ions inside the…
The theory of plasmas, that is collectives of charged particles, is developed using the coordinate-free and geometric methods of exterior calculus. This dramatically simplifies the algebra and gives a geometric physical interpretation. The…
In order to find the exact form of the electrostatic interaction between two proteins with dissociable charge groups in aqueous solution, we have studied a model system composed of two macroscopic surfaces with charge dissociation sites…
In simulating charged systems, it is often useful to treat some ionic components of the system at the mean-field level and solve the Poisson-Boltzmann (PB) equation to get their respective density profiles. The numerically intensive task of…
We compute the phase diagram of salt-free polyelectrolyte solutions using a modified Debye-Huckel Approach. We introduce the chain connectivity via the Random Phase Approximation with two important modifications. We modify the electrostatic…