Published 2001 | Version v1
Book

Density functional theory, methods, techniques, and applications

  • 1. Montreal Univ., PQ (Canada)
  • 2. Centre de Recherche en Calcul Applique, CERCA, Quebec (Canada)
  • 3. National Research Council of Canada (Canada)

Description

Important concepts of Density Functional Theory (DFT) and the different types of approximation for the exchange-correlation energy functional are presented. Applications illustrate the advantages of using DFT as a computational tool and point out some limitations as well. (authors)

Part of:
Atomic clusters and nano-particles

Additional details

Additional titles

Original title (English)
Agregats atomiques et nanoparticules

Publishing Information

Publisher
EDP Sciences
Imprint Place
Les Ulis (France)
ISBN
2-86883-536-8
Imprint Title
Atomic clusters and nano-particles
Imprint Pagination
584 p.
Journal Page Range
p. 105-160

Conference

Title
Conference on atomic clusters and nano-particles
Dates
2-28 Jul 2000
Place
Les Houches (France)

INIS

Country of Publication
France
Country of Input or Organization
France
INIS RN
34007914
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Resource subtype / Literary indicator
Conference
Descriptors DEI
ATOMIC CLUSTERS; DENSITY FUNCTIONAL METHOD; MANY-BODY PROBLEM; TRANSITION ELEMENTS; WAVE FUNCTIONS
Descriptors DEC
CALCULATION METHODS; ELEMENTS; FUNCTIONS; METALS; VARIATIONAL METHODS

Optional Information

Notes
180 refs. Imprint:Agregats atomiques et nanoparticules