Coordinates, modes and maps for the density functional
arXiv:nucl-th/0504075 · doi:10.1016/j.nuclphysa.2005.07.012
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.
15 pages, 9 figures