Related papers: Benchmarking Exchange-Correlation Functionals in t…
Electronic structures are fully determined by the exchange-correlation (XC) potential. In this work, we develop a new method to construct reliable XC potentials by properly mixing the exact exchange and the local density approximation…
A functional $E_{xc}[\rho(\r,\epsilon)]$ is presented, in which the exchange and correlation energy of an electron gas depends on the local density of occupied states. A simple local parametrization scheme is proposed, entirely from first…
We study the thermal conductivity of the disordered two-dimensional electron gas. To this end we analyze the heat density-heat density correlation function concentrating on the scattering processes induced by the Coulomb interaction in the…
Warm dense matter (WDM)---an extreme state with high temperatures and densities that occurs e.g. in astrophysical objects---constitutes one of the most active fields in plasma physics and materials science. These conditions can be realized…
We introduce an integrable model of spin-polarized interacting electrons subject to a spin-conserving spin-orbit interaction. Using Bethe Ansatz and conformal field theory we calculate the exact large-time single-electron and density…
We evaluate the charge and longitudinal spin response functions of a two-dimensional electron gas with $e^2/r$ interactions in an arbitrary state of spin polarization, using a structurally self-consistent approach to treat exchange and…
As part of a project to obtain better optical response functions for nano materials and other systems with strong excitonic effects we here calculate the exchange-correlation (XC) potential of density-functional theory (DFT) at a level of…
Simulations and diagnostics of high-energy-density plasmas and warm dense matter rely on models of material response properties, both static and dynamic (frequency-dependent). Here, we systematically investigate variations in dynamic…
We theoretically study the effect of electron-electron interactions in one-dimensional partially mixed helical states. These helical states can be realized at the edges of two-dimensional topological insulators with partially broken…
Reporting extensions of a recently developed approach to density functional theory with correct long-range be-havior (Phys. Rev. Lett. 94, 043002 (2005)). The central quantities are a splitting functional gamma[n] and a complementary…
Physically valid and numerically efficient approximations for the exchange and correlation energy are critical for reduced density-matrix functional theory to become a widely used method in electronic structure calculations. Here we examine…
Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel [Phys. Rev. A 39, 3761 (1989)]. Excellent agreement for the exchange-hole…
We apply the classical mapping technique developed recently by Dharma-wardana and Perrot for a study of the uniform two-dimensional electron system at arbitrary degeneracy and spin-polarization. Pair distribution functions, structure…
We study the low-temperature thermodynamics of a spin-S magnetic impurity coupled to m degenerate bands of interacting electrons in one dimension. By exploiting boundary conformal field theory techniques, we derive exact results for the…
Accurate exchange-correlation (XC) potentials for 3-dimensional systems -- via solution of the \emph{inverse} density functional theory (DFT) problem -- are now available to test the quality of DFT approximations. Herein, the \emph{exact}…
Density functional theory is the standard theory for computing the electronic structure of materials, which is based on a functional that maps the electron density to the energy. However, a rigorous form of the functional is not known and…
The dependence of the three lowest order spatial correlation functions of a harmonically confined Bose gas on temperature and interaction strength is presented at equilibrium. Our analysis is based on a stochastic Langevin equation for the…
We present the results of a variational Monte Carlo calculation of the exchange-correlation energy for a spin-polarized two-dimensional electron gas in a perpendicular magnetic field. These energies are a necessary input to the recently…
We derive the gradient expansion for the exchange energy of a spin-polarized electron gas by perturbing the uniformly spin polarized state and thus inducing a small non-collinearity that is slowly varying in space. We show that the…
A new method of computing multipolar exchange interaction in spin-orbit coupled systems is developed using multipolar tensor expansion of the density matrix in LDA+U electronic structure calculation. Within mean-field approximation,…