相关论文: Density-functionals not based on the electron gas:…

The electronic system of the 1D Hubbard model is not stable due to Peierls instability; the correlations are strong even for the weak Coulomb interaction. The resulting strongly correlated state without Landau quisi--particle excitations is…

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…

In this chapter, we describe three related studies of the universal physics of two-component unitary Fermi gases with resonant short-ranged interactions. First we discuss an ab initio auxiliary field quantum Monte Carlo technique for…

We show that the Luttinger theorem, a robust feature of Fermi liquids, can be violated in non-Fermi liquids. We compute non-Fermi liquid Green functions using duality to black holes and find that the volume of the Fermi surface depends…

Functional data that are nonnegative and have a constrained integral can be considered as samples of one-dimensional density functions. Such data are ubiquitous. Due to the inherent constraints, densities do not live in a vector space and,…

Reference system approach of non-relativistic electron fluid theory was adapted for calculation of characteristics of the electron-nuclear model at the densities typical of degenerate dwarfs. Two- and three correlation functions of…

The nonlinear optical properties and electro-optic effects of some oxygen-octahedric ferroelectrics are studied by the density functional theory (DFT) in the local density approximation (LDA) expressions based on first principle…

The one-body density matrix is derived within the Extended Thomas-Fermi approximation. This has been done starting from the Wigner-Kirkwood distribution function for a non-local single-particle potential. The links between this new approach…

Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…

The Luttinger model is a paradigm for the breakdown due to interactions of the Fermi liquid description of one-dimensional massless Dirac fermions. Attempts to discretize the model on a one-dimensional lattice have failed to reproduce the…

In a recent paper [Phys.~Rev.~A {\bf 89}, 022503 (2014)], the average density approximation (ADA) was implemented to develop a parameter-free, nonlocal kinetic energy functional to be used in the orbital-free density-functional theory of an…

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 study one-dimensional spinless fermions at zero and finite temperature T using the density matrix renormalization group. We consider nearest as well as next-nearest neighbor interactions; the latter render the system inaccessible by a…

The method of the quasiclassical Green's function is used to determine the equilibrium properties of one-dimensional (1D) interacting Fermi systems, in particular, the bulk and the local (near a hard wall) density of states. While this is a…

We present a novel approximation scheme for the treatment of strongly correlated electrons in arbitrary crystal lattices. The approach extends the well-known dynamical mean field theory to include nonlocal two-site correlations of arbitrary…

The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively-charged…

A density-matrix formalism is developed based on the one-particle density-matrix of a single-determinantal reference-state. The v-representable problem does not appear in the proposed method, nor the need to introduce functionals defined by…

In the current density functional theory of linear and nonlinear time-dependent phenomena, the treatment of exchange and correlation beyond the level of the adiabatic local density approximation is shown to lead to the appearance of…

The electron density, its gradient, and the Kohn-Sham orbital kinetic energy density are the local ingredients of a meta-generalized gradient approximation (meta-GGA). We construct a meta-GGA density functional for the exchange-correlation…

We study the 1D extended Hubbard model with a weak repulsive short-range interaction in the non-half-filled band case, using non-perturbative Renormalization Group methods and Ward Identities. At the critical temperature, T = 0, the…