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physics.atom-ph2010★ 2 cited
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…
physics.atom-ph2009★ 5 cited
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…
physics.atom-ph2008
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…