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

Books 3054
· Book News
· Most clicked
· Least clicked

Search for a Book
HELP US TO HELP YOU
Add a new Book

Shell-correction and orbital-free density-functional methods for finite systems

book
Language:
Author: Constantine Yannouleas, Uzi Landman
Url: http://arxiv.org/abs/1004.3536
Format: Ps,Pdf
Year: 2010
Category: Density Functional Theory
Pages: 47
Clicks: 1592

Description
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 an open question. In this chapter we review the shell-correction method (SCM, commonly known as Strutinsky\'s averaging method) applied originally in nuclear physics and its more recent formulation in the context of DFT [Yannouleas and Landman, Phys. Rev. B 48, 8376 (1993)]. We demonstrate the DFT-SCM method through its earlier applications to condensed-matter finite systems, including metal clusters, fullerenes, and metal nanowires. The DFT-SCM incorporates quantum mechanical interference effects and thus offers an improvement compared to the use of Thomas-Fermi-type kinetic energy density functionals in OF-DFT.

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