|
|
Electron Density Functional Theory
Author:
Roi Baer
Language:

Contents: INTRODUCTORY BACKGROUND TOPICS;MY FIRST DENSITY FUNCTIONAL: THOMAS-FERMI THEORY;MANY-ELECTRON WAVE FUNCTIONS; THE HARTREE-FOCK THEORY; ADVANCED TOPICS IN HARTREE-FOCK THEORY;THE HOHENBERG- . . . . . |
The ABC of DFT
Author:
Kieron Burke and friends
Language:

A very good book about DFT. It should be particularly useful for users, who wish to understand the fundamental theory in a little more depth, in order to make intelligent decisions about which calcula . . . . . |
Lectures on the Density Functional Theory
Author:
Andrei Postnikov
Language:

Contents:Thomas-Fermi method; Hartree-Fock formalism; Total energy as functional of electron density; Practical implementation of DFT and HF calculation schemes; Response properties in ab initio schem . . . . . |
Lectures on the Density Functional Theory
Author:
Andrei Postnikov
Language:

Contents: Thomas-Fermi method; Hartree-Fock formalism; Total energy as functional of electron density; Practical implementation of DFT and HF calculation schemes; Response properties in ab initio sche . . . . . |
Density functional approach to the many-body problem
Author:
Robert van Leeuwen
Language:

We give an overview of the fundamental concepts of density functional
theory. We give a careful discussion of the several density functionals and
their di®erentiability properties. We show that for . . . . . |
Real-Space Mesh Techniques in Density Functional Theory
Author:
Thomas L. Beck
Language:

This review discusses progress in efficient solvers which have as their foundation a representation in real space, either through finite-difference or finite-element formulations. The relationship of . . . . . |
Eft for DFT
Author:
R.J. Furnstahl
Language:

These lectures give an overview of the ongoing application of effective field theory (EFT) and renormalization group (RG) concepts and methods to density functional theory (DFT), with special emphasis . . . . . |
Phonons and related properties of extended systems from DFT
Author:
S. Baroni, S. de Gironcoli, A. Dal Corso,
Language:

This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudo-potential method. Several sp . . . . . |
Shell-correction and orbital-free density-functional methods for finite systems
Author:
Constantine Yannouleas, Uzi Landman
Language:

Orbital-free (OF) methods promise significant speed-up of computations based on density functional theory (DFT). In this field, the development of accurate kinetic-energy density functionals remains a . . . . . |
Density Functionals for non relativistic Coulomb Systems
Author:
J. Perdew and S. Kurth
Language:

Contents: introduction; wavefunction theory; definitions of density functionals; formal properties of functionals; uniform electron gas; local and semi-local approximations. |
Wavelets for Density-Functional Theory and Post-Density-Functional-Theory Calculations
Author:
Bhaarathi Natarajan, Mark E. Casida, Luigi Genovese, Th
Language:

We give a fairly comprehensive review of wavelets and of their application to density-functional theory (DFT) and to our recent application of a wavelet-based version of linear-response time-dependent . . . . . |
A chemist's guide to density functional theory
Author:
W. Koch and M.C. Holthausen
Language:

A chemist's guide to density functional theory. |
Density Functional Theory
Author:
Paolo Giannozzi
Language:

Contents: Density Functional Theory; Practical DFT calculations; Finding the electronic ground state; Moving atoms - complex materials; DFT and Molecular Dynamics; Electronic screening: basics. |
Density functional theories and self-energy approaches
Author:
R. W. Godby and P. García-González
Language:

In this chapter, after a brief introduction to MBPT and Hedin’s GW
approximation, we will summarise some peculiar aspects of the Kohn–Sham
XC energy functional, showing that some of them can be i . . . . . |
Introduction to Density Functional Theory and Exchange-Correlation Energy Functionals.
Author:
R. O. Jones
Language:

Introduction to Density Functional Theory and Exchange-Correlation Energy Functionals. |
Density-functional tight-binding for beginners
Author:
Pekka Koskinen, Ville Mäkinen
Language:

This article is a pedagogical introduction to density-functional tight-binding (DFTB) method. We derive it from the density-functional theory, give the details behind the tight-binding formalism, and . . . . . |
Notes on the ab initio theory of molecules and solids: Density functional theory (DFT)
Author:
Tomás A. Arias
Language:

Contents: Contents; Introduction;
The importance of the total energy;
The total energy within density; functional theory; Kohn-Sham equations. |
Density Functional Theory -- an introduction
Author:
Nathan Argaman, Guy Makov
Language:

An alternative introduction to DFT is presented here, drawing on ideas which are well-known from thermodynamics, especially the idea of switching between different independent variables. |
A bird's-eye view of density-functional theory
Author:
Klaus Capelle
Language:

This paper 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 revie . . . . . |