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arxiv: nucl-th/0504075 · v2 · submitted 2005-04-26 · ⚛️ nucl-th · math-ph· math.MP· physics.atom-ph

Coordinates, modes and maps for the density functional

classification ⚛️ nucl-th math-phmath.MPphysics.atom-ph
keywords densityexpansionsfunctionalinformationmodespotentialalgorithmsarbitrary
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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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