12 citations · 19 across the 4 of their papers we have counts for
4 papers
Exact exchange potential evaluated solely from occupied Kohn-Sham and Hartree-Fock solutions
M. Cinal, A. Holas
The reported new algorithm determines the exact exchange potential v_x in a iterative way using energy and orbital shifts (ES, OS) obtained - with finite-difference formulas - from…
Direct mapping between exchange potentials of Hartree-Fock and Kohn-Sham schemes as origin of orbitals proximity
M. Cinal
It is found that, in closed--shell atoms, the exact local exchange potential of the density functional theory (DFT) is very well represented, within the re…
Why Kohn-Sham and Hartree-Fock orbitals are very close to each other. Shell structure of exchange potential
M. Cinal
It is found that, in closed--subshell atoms, the exact local exchange potential of the density functional theory is very well represented, within the region of every atomic shel…
Magnetic anisotropy of vicinal (001) fcc Co films: role of crystal splitting and structure relaxation in step-decoration effect
M. Cinal, A. Umerski
The uniaxial in-plane magnetic anisotropy (UIP-MA) constant is calculated for a single step on the (001) surface of fcc Co() films. The calculations are done for both an undecor…