Coordinates, modes and maps for the density functional

Details Coordinates, modes and maps for the density functional Coordinates, modes and maps for the density functional

2005-04-26

arxiv.org/abs/nucl-th/0504075v2

Nucl.Phys. A761 (2005) 22-40

Physics

Nuclear Physics

Nuclear Theory

15 pages, 9 figures

Scientific paper

10.1016/j.nuclphysa.2005.07.012

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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