A reduced basis method applied to the Restricted Hartree-Fock equations
Résumé
In this Note, we describe a reduced basis approximation method for the computation of some electronic structure in quantum chemistry, based on the Restricted Hartree-Fock equations. Numerical results are presented to show that this approach allows for reducing the complexity and potentially the computational costs.
Domaines
Analyse numérique [math.NA]
Origine : Fichiers produits par l'(les) auteur(s)
Loading...