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Coordinates, modes and maps for the density functional

Authors
Journal
Nuclear Physics A
0375-9474
Publisher
Elsevier
Publication Date
Volume
761
Identifiers
DOI: 10.1016/j.nuclphysa.2005.07.012
Keywords
  • Nuclear Structure And Dynamics
Disciplines
  • Computer Science

Abstract

Abstract 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.

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