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Journal articles
Algebraic density functionals
Abstract : A 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.
Cited literature [22 references]
https://hal-cea.archives-ouvertes.fr/cea-02888099
Contributor : Bruno Savelli Connect in order to contact the contributor
Submitted on : Thursday, July 2, 2020 - 5:20:52 PM
Last modification on : Monday, December 13, 2021 - 9:16:11 AM
Long-term archiving on: : Thursday, September 24, 2020 - 5:46:11 AM
Contributor : Bruno Savelli Connect in order to contact the contributor
Submitted on : Thursday, July 2, 2020 - 5:20:52 PM
Last modification on : Monday, December 13, 2021 - 9:16:11 AM
Long-term archiving on: : Thursday, September 24, 2020 - 5:46:11 AM
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