This paper is the outgrowth of lectures the author gave at the Physics Institute and the Chemistry Institute of the University of São Paulo at São Carlos, Brazil, and at the VIII'th Summer School on Electronic Structure of the Brazilian Physical Society. It is an attempt to introduce density-functional theory (DFT) in a language accessible for students entering the field or researchers from other fields. It is not meant to be a scholarly review of DFT, but rather an informal guide to its conceptual basis and some recent developments and advances. The Hohenberg-Kohn theorem and the Kohn-Sham equations are discussed in some detail. Approximate density functionals, selected aspects of applications of DFT, and a variety of extensions of standar...
The properties of many materials at the atomic scale depend on the electronic structure, which requi...
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual b...
Density functional theory is an alternative quantum mechanical theory that offers simple ways of per...
The density functional theory (DFT) established itself as a well reputed way to compute the electron...
Density functional methods form the basis of a diversified and very active area of present days comp...
International audienceThe past decades have seen density functional theory (DFT) evolve from a risin...
International audienceThe past decades have seen density functional theory (DFT) evolve from a risin...
International audienceThe past decades have seen density functional theory (DFT) evolve from a risin...
Density Functional Theory (DFT) is one of the most widely used methods for ``ab initio'' calculation...
The emergence of a family of computational methods, known under the label ‘density functional theory...
In little more than 20 years, the number of applications of the density functional (DF) formalism in...
Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and unde...
La théorie de la fonctionnelle de la densité est la méthode la plus efficace pour modéliser la matiè...
Density Functional Theory (DFT) is a powerful and commonly employed quantum mechanical tool for inve...
Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an...
The properties of many materials at the atomic scale depend on the electronic structure, which requi...
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual b...
Density functional theory is an alternative quantum mechanical theory that offers simple ways of per...
The density functional theory (DFT) established itself as a well reputed way to compute the electron...
Density functional methods form the basis of a diversified and very active area of present days comp...
International audienceThe past decades have seen density functional theory (DFT) evolve from a risin...
International audienceThe past decades have seen density functional theory (DFT) evolve from a risin...
International audienceThe past decades have seen density functional theory (DFT) evolve from a risin...
Density Functional Theory (DFT) is one of the most widely used methods for ``ab initio'' calculation...
The emergence of a family of computational methods, known under the label ‘density functional theory...
In little more than 20 years, the number of applications of the density functional (DF) formalism in...
Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and unde...
La théorie de la fonctionnelle de la densité est la méthode la plus efficace pour modéliser la matiè...
Density Functional Theory (DFT) is a powerful and commonly employed quantum mechanical tool for inve...
Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an...
The properties of many materials at the atomic scale depend on the electronic structure, which requi...
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual b...
Density functional theory is an alternative quantum mechanical theory that offers simple ways of per...