dorsal/arxiv
View SchemaCoordinates, modes and maps for the density functional
| Authors | B. G. Giraud, A. Weiguny, L. Wilets |
|---|---|
| Categories | |
| ArXiv ID | nucl-th/0504075 |
| URL | https://arxiv.org/abs/nucl-th/0504075 |
| DOI | 10.1016/j.nuclphysa.2005.07.012 |
| Journal | Nucl.Phys. A761 (2005) 22-40 |
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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"abstract": "Special bases of orthogonal polynomials are defined, that are suited to\nexpansions of density and potential perturbations under strict particle number\nconservation. Particle-hole expansions of the density response to an arbitrary\nperturbation by an external field can be inverted to generate a mapping between\ndensity and potential. Information is obtained for derivatives of the\nHohenberg-Kohn functional in density space. A truncation of such an information\nin subspaces spanned by a few modes is possible. Numerical examples illustrate\nthese algorithms.",
"arxiv_id": "nucl-th/0504075",
"authors": [
"B. G. Giraud",
"A. Weiguny",
"L. Wilets"
],
"categories": [
"nucl-th",
"math-ph",
"math.MP",
"physics.atom-ph"
],
"doi": "10.1016/j.nuclphysa.2005.07.012",
"journal_ref": "Nucl.Phys. A761 (2005) 22-40",
"title": "Coordinates, modes and maps for the density functional",
"url": "https://arxiv.org/abs/nucl-th/0504075"
},
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