Published October 31, 2005 | Version v1
Journal article

Coordinates, modes and maps for the density functional

  • 1. Service de Physique Theorique, DSM, CE Saclay, F-91191 Gif-sur-Yvette (France)
  • 2. Institut fuer Theoretische Physik, Universitaet Muenster (Germany)
  • 3. Department of Physics and Astronomy, University of Washington, Box 351560, Seattle, WA 98195-1560 (United States)

Description

Special bases of orthogonal polynomials are defined, that are suited to expansions of density and potential perturbations under strict particle number conservation. Particle-hole expansions of the density response to an arbitrary perturbation by an external field can be inverted to generate a mapping between density and potential. Information is obtained for derivatives of the Hohenberg-Kohn functional in density space. A truncation of such an information in subspaces spanned by a few modes is possible. Numerical examples illustrate these algorithms

Additional details

Identifiers

DOI
10.1016/j.nuclphysa.2005.07.012;
arXiv
arXiv:nucl-th/0504075v2;
PII
S0375-9474(05)00997-8;

Publishing Information

Journal Title
Nuclear Physics. A
Journal Volume
761
Journal Issue
1-2
Journal Page Range
p. 22-40
ISSN
0375-9474
CODEN
NUPABL

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
37042980
Subject category
S73: NUCLEAR PHYSICS AND RADIATION PHYSICS;
Descriptors DEI
ALGORITHMS; COORDINATES; DENSITY FUNCTIONAL METHOD; DISTURBANCES; PARTICLE-HOLE MODEL; POLYNOMIALS; POTENTIALS
Descriptors DEC
CALCULATION METHODS; FUNCTIONS; MATHEMATICAL LOGIC; MATHEMATICAL MODELS; NUCLEAR MODELS; VARIATIONAL METHODS

Optional Information

Copyright
Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.