Exact exchange potential evaluated from occupied Kohn-Sham and Hartree-Fock solutions

  title={Exact exchange potential evaluated from occupied Kohn-Sham and Hartree-Fock solutions},
  author={M. Cinal and Andrzej Holas},
  journal={Physical Review A},
The reported algorithm determines the exact exchange potential v{sub x} in an iterative way using energy shifts (ESs) and orbital shifts (OSs) obtained with finite-difference formulas from the solutions (occupied orbitals and their energies) of the Hartree-Fock-like equation and the Kohn-Sham-like equation, the former used for the initial approximation to v{sub x} and the latter for increments of ES and OS due to subsequent changes of v{sub x}. Thus, the need for solution of the differential… 
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