Home Newsletter
News Books
Welcome to FreeScience.info Language/Lingua

Books 3054
· Book News
· Most clicked
· Least clicked

Search for a Book
Add a new Book

Hubbard-corrected DFT energy functionals: the LDA U description of correlated systems

Author: Burak Himmetoglu, Andrea Floris, S. de Gironcoli, M. Cococcioni
Url: http://arxiv.org/abs/1309.3355
Format: Ps, Pdf
Year: 2013
Category: Density Functional Theory
Pages: 45
Clicks: 1088

The aim of this review article is to assess the descriptive capabilities of the Hubbard-rooted LDA U method and to clarify the conditions under which it can be expected to be most predictive. The paper illustrates the theoretical foundation of LDA U and prototypical applications to the study of correlated materials, discusses the most relevant approximations used in its formulation, and makes a comparison with other approaches also developed for similar purposes. Open "issues" of the method are also discussed, including the calculation of the electronic couplings (the Hubbard U), the precise expression of the corrective functional and the possibility to use LDA U for other classes of materials. The second part of the article presents recent extensions to the method and illustrates the significant improvements they have obtained in the description of several classes of different systems. The conclusive section finally discusses possible future developments of LDA U to further enlarge its predictive power and its range of applicability.

Similar Books
Phonons and related properties of extended systems from DFT
Density Functional Theory -- an introduction
A bird's-eye view of density-functional theory
The ABC of DFT
Density Functional Theory
Real-Space Mesh Techniques in Density Functional Theory
Eft for DFT
Density functional approach to the many-body problem
Density-functional tight-binding for beginners
A chemist's guide to density functional theory
Density Functionals for non relativistic Coulomb Systems
Introduction to Density Functional Theory and Exchange-Correlation Energy Functionals.
Shell-correction and orbital-free density-functional methods for finite systems
Electron Density Functional Theory
Density functional theories and self-energy approaches
Lectures on the Density Functional Theory
Wavelets for Density-Functional Theory and Post-Density-Functional-Theory Calculations
Notes on the ab initio theory of molecules and solids: Density functional theory (DFT)
Lectures on the Density Functional Theory
The Projector Augmented-wave Method
An Introduction to Microscopic Theories for Inhomogeneous Liquids: Getting Started with Density Functional Theory
Introduction to density-functional theory

Home |  Authors | About | Contact Us |  Email 
 Copyright © 2002-2013 FreeScience.info. 

Best viewed with Mozilla 1.X 1024x768
free scientific books