We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius rs and a two-electron hole curvature parameter η at each point in space. The gLDA reduces to the LDA when applied to the infinite homogeneous electron gas but, unlike the LDA, is is also exact for finite uniform electron gases on spheres. We present an explicit gLDA functional for the correlation energy of electrons that are confined to a one-dimensional space and compare its accuracy with LDA, second- and third-order Møller-Plesset perturbation energies and exact calculations for a variety of inhomogeneous systems
In this thesis we explore two distinct topics: a unique model of one dimensional chemistry and ...
We show that the expression of the high-density (i.e., small-r s ) correlation energy per electron f...
Within density-functional theory, the local-density approximation (LDA) correlation functional is t...
We explicitly build a generalized local-density approximation (GLDA) correlation functional based on...
We give the first mathematically rigorous justification of the local density approximation in densit...
International audienceWe give the first mathematically rigorous justification of the Local Density A...
The generalized gradient approximation (GGA) corrects many of the shortcomings of the local spin-den...
We studied uniform electron gas with a gap model in the context of density functional theory. On the...
The local density approximation (LDA) constructed through quantum Monte Carlo calculations of the ho...
Advances in our understanding of density functionals have led to the Perdew-Wang 91 (PW91) generaliz...
A widely used approximation to the exchange-correlation functional in density functional theory is t...
Approximations to the exact density functional for the exchange-correlation energy of a many-electro...
We present a local density approximation (LDA) for one-dimensional (1D) systems interacting via the ...
Abstract: Approximations to the exact density functional for the exchange-correlation energy of a m...
We present a local density approximation (LDA) for onedimensional systems in-teracting via softCoulo...
In this thesis we explore two distinct topics: a unique model of one dimensional chemistry and ...
We show that the expression of the high-density (i.e., small-r s ) correlation energy per electron f...
Within density-functional theory, the local-density approximation (LDA) correlation functional is t...
We explicitly build a generalized local-density approximation (GLDA) correlation functional based on...
We give the first mathematically rigorous justification of the local density approximation in densit...
International audienceWe give the first mathematically rigorous justification of the Local Density A...
The generalized gradient approximation (GGA) corrects many of the shortcomings of the local spin-den...
We studied uniform electron gas with a gap model in the context of density functional theory. On the...
The local density approximation (LDA) constructed through quantum Monte Carlo calculations of the ho...
Advances in our understanding of density functionals have led to the Perdew-Wang 91 (PW91) generaliz...
A widely used approximation to the exchange-correlation functional in density functional theory is t...
Approximations to the exact density functional for the exchange-correlation energy of a many-electro...
We present a local density approximation (LDA) for one-dimensional (1D) systems interacting via the ...
Abstract: Approximations to the exact density functional for the exchange-correlation energy of a m...
We present a local density approximation (LDA) for onedimensional systems in-teracting via softCoulo...
In this thesis we explore two distinct topics: a unique model of one dimensional chemistry and ...
We show that the expression of the high-density (i.e., small-r s ) correlation energy per electron f...
Within density-functional theory, the local-density approximation (LDA) correlation functional is t...