Algebraic density functionals

B.G. Giraud (1) , S. Karataglidis (2)

1 IPHT - Institut de Physique Théorique - UMR CNRS 3681
2 UJ - University of Johannesburg [South Africa]

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.

Domains: Physics [physics]; Physics [physics]; Mathematical Physics [math-ph]

B.G. Giraud, S. Karataglidis. Algebraic density functionals. Physics Letters B, 2011, 703 (1), pp.88-93. ⟨10.1016/j.physletb.2011.07.051⟩. ⟨cea-02888099⟩