Related papers: Exact density functional for hard rod mixtures der…
Time-dependent density functional theory, proposed recently in the context of atomic diffusion and non-equilibrium processes in solids, is tested against Monte Carlo simulation. In order to assess the basic approximation of that theory, the…
Finite density systems can be explored with Lattice QCD through the calculation of multi-hadron correlation functions. Recently, systems with up to 12 $\pi^+$'s or $K^+$'s have been studied to determine the 3-$\pi^+$ and 3-$K^+$…
Exact solutions are derived for the problem of a two-dimensional, infinitely anisotropic, linear-elastic medium containing a periodic lattice of voids. The matrix material possesses either one infinitely soft, or one infinitely hard loading…
Due to its efficiency and reasonable accuracy, density functional theory is one of the most widely used electronic structure theories in condensed matter physics, materials physics, and quantum chemistry. The accuracy and efficiency of a…
We study the elastic response of composites of rods embedded in elastic media. We calculate the micro-mechanical response functions, and bulk elastic constants as functions of rod density. We find two fixed points for Poisson's ratio with…
A new method to extract the density of partition function zeroes (a continuous function) from their distribution for finite lattices (a discrete data set) is presented. This allows direct determination of the order and strength of phase…
The exact-exchange relativistic density functional theory (Ex-RDFT) of atomic nuclei has been solved in three-dimensional lattice space for the first time. The exchange energy is treated within the framework of the orbital-dependent…
We consider some aspects of a standard model employed in studies of many-body localization: interacting spinless fermions with quenched disorder, for non-zero filling fraction, here on $d$-dimensional lattices. The model may be recast as an…
Finite order Markov models are theoretically well-studied models for dependent discrete data. Despite their generality, application in empirical work when the order is large is rare. Practitioners avoid using higher order Markov models…
In any Markov chain with finite state space the distribution of transition records always belongs to the exponential family. This observation is used to prove a fluctuation theorem, and to show that the dynamical entropy of a stationary…
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…
We obtain exact densities of contractible and non-contractible loops in the O(1) model on a strip of the square lattice rolled into an infinite cylinder of finite even circumference $L$. They are also equal to the densities of critical…
Entanglement plays a prominent role in the study of condensed matter many-body systems: Entanglement measures not only quantify the possible use of these systems in quantum information protocols, but also shed light on their physics.…
A simple exact-exchange density-functional method for a quasi-two-dimensional electron gas with variable density is presented. An analytical expression for the exact-exchange potential with only one occupied subband is provided, without…
The article is devoted to the estimation of the rate of convergence of integral functionals of a Markov process. Under the assumption that the given Markov process admits a transition probability density which is differentiable in $t$ and…
We employ the density matrix renormalization group to construct the exact time-dependent exchange correlation potential for an impurity model with an applied transport voltage. Even for short-ranged interaction we find an infinitely…
This work explores the use of joint density-functional theory, a new form of density-functional theory for the ab initio description of electronic systems in thermodynamic equilibrium with a liquid environment, to describe electrochemical…
We consider an elementary model for self-organised criticality, the activated random walk on the complete graph. We introduce a discrete time Markov chain as follows. At each time step, we add an active particle at a random vertex and let…
The paper presents efficient approaches for evaluating convergence rate in total variation for finite and general linear Markov chains. The motivation for studying convergence rate in this metric is its usefulness in various limit theorems.…
Although density functional theory provides reliable predictions for the static properties of simple fluids under confinement, a theory of comparative accuracy for the transport coefficients has yet to emerge. Nonetheless, there is evidence…