Related papers: The density gradient expansion of correlation func…
We put forward new approach for the development of a non-local density functional by a direct modeling of the shape of exchange-correlation (xc) hole in inhomogeneous systems. The functional is aimed at giving an accurate xc-energy and an…
We develop the effective field theory of density fluctuations for a Newtonian self-gravitating N-body system in quasi-equilibrium, apply it to a homogeneous universe with small density fluctuations. Keeping the density fluctuation up to the…
We propose a simple gradient-dependent bound for the exchange-correlation energy (sLL), based on the recent non-local bound derived by Lewin and Lieb. We show that sLL is equivalent to the original Lieb-Oxford bound in rapidly-varying…
We develop a systematic method to obtain the solution of the collisionless Boltzmann equation which describes the growth of large-scale structures as a perturbative series over the initial density perturbations. We give an explicit…
We consider nonlinear reaction systems satisfying mass-action kinetics with slow and fast reactions. It is known that the fast-reaction-rate limit can be described by an ODE with Lagrange multipliers and a set of nonlinear constraints that…
A cluster expansion is proposed, that applies to both continuous and discrete systems. The assumption for its convergence involves an extension of the neat Kotecky-Preiss criterion. Expressions and estimates for correlation functions are…
In connection with recent work on smallest gaps, C. Charlier proves that the 1-point function of a suitable planar Coulomb system $\{z_j\}_1^n$, in the determinantal case with respect to an external potential $Q(z)$, admits the expansion,…
We develop the first order gradient correction to the exchange-correlation free energy of the homogeneous electron gas for use in finite temperature density functional calculations. Based on this we propose and implement a simple…
Recent progress in the formulation of a fully dynamical local approximation to time-dependent Density Functional Theory appeals to the longitudinal and transverse components of the exchange and correlation kernel in the linear…
We introduce a method for calculating the stationary state of a translation invariant array of weakly coupled cavities in the presence of dissipation and coherent as well as incoherent drives. Instead of computing the full density matrix…
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…
A rigorous derivation of the density functional via the effective action in the Hohenberg-Kohn theory is outlined. Using the auxiliary field method, in which the electric coupling constant $e^2$ need not be small, we show that the loop…
We propose a generalized gradient approximation (GGA) for the angle- and system-averaged exchange-correlation hole of a many-electron system. This hole, which satisfies known exact constraints, recovers the PBEsol (Perdew-Burke-Ernzerhof…
The derivative discontinuity of the exchange-correlation functional of density-functional theory is cast as the difference of two types of electron affinities. We show that standard Kohn-Sham calculations can be used to calculate both…
We study global regularity of nonlinear systems of partial differential equations depending on the symmetric part of the gradient with Dirichlet boundary conditions. These systems arise from variational problems in plasticity with power…
A generalized version of Groeneveld's convergence criterion for the virial expansion and generating functionals for weighted $2$-connected graphs is proven. The criterion works for inhomogeneous systems and yields bounds for the density…
Different types of interactions coexist and coevolve to shape the structure and function of a multiplex network. We propose here a general class of growth models in which the various layers of a multiplex network coevolve through a set of…
We derive the exact beyond-linear fluctuation dissipation relation, connecting the response of a generic observable to the appropriate correlation functions, for Markov systems. The relation, which takes a similar form for systems governed…
We analyze a class of non-simple exclusion processes and the corresponding growth models by generalizing Gaertners Cole-Hopf transformation. We identify the main non-linearity and eliminate it by imposing a gradient type condition. For…
Exchange hole is the principle constituent in density functional theory, which can be used to accurately design exchange energy functional and range separated hybrid functionals coupled with some appropriate correlation. Recently, density…