Published October 31, 2005
| Version v1
Journal article
Coordinates, modes and maps for the density functional
Creators
- 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.