Jensen, Stig Rune; Durdek, Antoine Pacifique Romain; Bjørgve, Magnar; Wind, Peter; Flå, Tor; Frediani, Luca (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-07-18)
We have implemented a self-consistent feld solver for Hartree–Fock calculations,
by making use of Multiwavelets and Multiresolution Analysis. We show how such a
solver is inherently a preconditioned steepest descent method and therefore a good
starting point for rapid convergence. A distinctive feature of our implementation is
the absence of any reference to the kinetic energy operator. This is ...