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oaioai:HAL:cea-02888099v1

Algebraic density functionals

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Publication date
1 September 2011
Publisher
Elsevier
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    Abstract

    International audienceA systematic strategy for the calculation of density functionals (DFs) consists in coding informations about the density and the energy into polynomials of the degrees of freedom of wave functions. DFs and Kohn-Sham potentials (KSPs) are then obtained by standard elimination procedures of such degrees of freedom between the polynomials. Numerical examples illustrate the formalism

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    Last time updated on 11/09/2020

    This paper was published in HAL-CEA.

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