Add to ORKGThe purpose of this thesis is to study local perturbations of equilibrium crystalline states of the density functional theory (DFT) at positive temperature through the Kohn-Sham equations under local-density approximation (LDA). Under suitable scaling and at low temperature, we prove an existence result for the Kohn-Sham equations and show that local macroscopic perturbations from periodic equilibrium states give rise to the Poisson equation as an effective equation.Ph.D
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to constru...
Starting from a general classical model of many interacting particles we present a well defined step...
Time-dependent density-functional theory is a rather accurate and efficient way to compute electroni...
The purpose of this thesis is to study local perturbations of equilibrium crystalline states of the ...
We examine the density-functional theory of macroscopic insulators, obtained in the large-cluster li...
A way to improve the accuracy of the spectral properties in density functional theory (DFT) is to im...
The behavior of interacting electrons in a perfect crystal under macroscopic external electric and m...
In this paper, we study a few theoretical issues in the discretized Kohn-Sham (KS) density functiona...
In this article, we provide a mathematical analysis of the perturbation method for extended Kohn-Sha...
We propose a scheme to bring reduced-density-matrix-functional theory into the realm of density func...
We explore a new formalism to study the nonlinear electronic density response based on Kohn-Sham den...
We re-adapt a spectral renormalization method, introduced in nonlinear optics, to solve the Kohn-Sha...
We present an alternative to the Kohn-Sham formulation of density-functional theory for the ground-s...
We review the progress that has been recently made in the application of time-dependent density func...
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approxi...
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to constru...
Starting from a general classical model of many interacting particles we present a well defined step...
Time-dependent density-functional theory is a rather accurate and efficient way to compute electroni...
The purpose of this thesis is to study local perturbations of equilibrium crystalline states of the ...
We examine the density-functional theory of macroscopic insulators, obtained in the large-cluster li...
A way to improve the accuracy of the spectral properties in density functional theory (DFT) is to im...
The behavior of interacting electrons in a perfect crystal under macroscopic external electric and m...
In this paper, we study a few theoretical issues in the discretized Kohn-Sham (KS) density functiona...
In this article, we provide a mathematical analysis of the perturbation method for extended Kohn-Sha...
We propose a scheme to bring reduced-density-matrix-functional theory into the realm of density func...
We explore a new formalism to study the nonlinear electronic density response based on Kohn-Sham den...
We re-adapt a spectral renormalization method, introduced in nonlinear optics, to solve the Kohn-Sha...
We present an alternative to the Kohn-Sham formulation of density-functional theory for the ground-s...
We review the progress that has been recently made in the application of time-dependent density func...
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approxi...
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to constru...
Starting from a general classical model of many interacting particles we present a well defined step...
Time-dependent density-functional theory is a rather accurate and efficient way to compute electroni...