Related papers: Molecular correlations and solvation in simple flu…
We propose a generalisation of molecular density functional theory to describe inhomogeneous solvent mixture, with the objective of modelling electrolytic solutions. Two electrolytic models are presented, both within the HNC approximation.…
We investigate the large-distance asymptotic behavior of the static density-density and field-field correlation functions in the one-dimensional Bose gas at finite temperature. The asymptotic expansions of the Bose gas correlators are…
We re-visit the competition between attractive and repulsive interparticle forces in simple fluids and how this governs and connects the macroscopic phase behavior and structural properties as manifest in pair correlation functions. We…
We propose a lattice density-functional theory for {\it ab initio} quantum chemistry or physics as a route to an efficient approach that approximates the full configuration interaction energy and orbital occupations for molecules with…
In this thesis, we have investigated the spreading of quantum correlations in isolated lattice models with short- or long-range interactions driven far from equilibrium via sudden global quenches. A general theoretical approach relying on a…
Lattice gas automata with collision rules that violate the conditions of semi-detailed-balance exhibit algebraic decay of equal time spatial correlations between fluctuations of conserved densities. This is shown on the basis of a…
We study the long-distance asymptotic behavior of various correlation functions for the one-dimensional (1D) attractive Hubbard model in a partially polarized phase through the Bethe ansatz and conformal field theory approaches. We…
We present a coarse-grained lattice model of solvation thermodynamics and the hydrophobic effect that implements the ideas of Lum-Chandler-Weeks (LCW) theory [J. Phys. Chem. B 103, 4570 (1999)] and improves upon previous lattice models…
In this work, we show in pedagogical detail that the most singular contributions to the slow part of the asymptotic density-density correlation function of Luttinger liquids with fermions interacting mutually with only short-range forward…
We compute lattice correlation functions for the model of critical dense polymers on a semi-infinite cylinder of perimeter $n$. In the lattice loop model, contractible loops have a vanishing fugacity whereas non-contractible loops have a…
Recent studies on the solvation of atomistic and nanoscale solutes indicate that a strong coupling exists between the hydrophobic, dispersion, and electrostatic contributions to the solvation free energy, a facet not considered in current…
For a one-dimensional model in which the two-body interactions are long-range and strong, the system almost crystallizes. The harmonic modes of such a lattice can be used to compute the ground state wave function and the dynamical…
The correlation function of two dimensional Ising model with the nearest neighbours interaction on the finite size lattice with the periodical boundary conditions is derived. The expressions similar to the form factor representation are…
The six-vertex model on a square lattice is "exactly solvable" because an exact formula for the free energy can be obtained by Bethe Ansatz. However, exact formulas for the correlations of local bulk observables, such as the orientation of…
The equal-time pairing correlation function of the two-dimensional t-J model on a square lattice is studied using a high-temperature expansion method. The sum of the pairing correlation, its spatial dependence, and the correlation length…
A class of two-species ({\it three-states}) bimolecular diffusion-limited models of classical particles with hard-core reacting and diffusing in a hypercubic lattice of arbitrary dimension is investigated. The manifolds on which the…
Highly supercooled liquids with soft-core potentials are studied via molecular dynamics simulations in two and three dimensions in quiescent and sheared conditions.We may define bonds between neighboring particle pairs unambiguously owing…
We calculate the dynamics of the one and two body correlation functions in a homogeneous Bose gas at zero temperature following a sudden change in the interaction strength, with and without an underlying lattice. We focus on conceptually…
Thermodynamic quantities and correlation functions (CFs) of the classical antiferromagnet on the kagom\'e lattice are studied for the exactly solvable infinite-component spin-vector model, D \to \infty. In this limit, the critical coupling…
We study long-range correlation functions of the rectangular Ising lattice with cyclic boundary conditions. Specifically, we consider the situation in which two spins are on the same column, and at least one spin is on or near free…