SEARCH Articles Figures Tables Beyond Two-Body Interaction Fragment-Localized Kohn-Sham Orbitals via a Singles-CI Procedure Canonical Kohn-Sham orbitals Density function method Kohn-Sham orbital Density function theory Kohn-Sham orbitals Density functional Kohn-Sham orbitals Density-functional theory and Kohn-Sham orbitals Fragment Localized Kohn-Sham orbitals Highest occupied orbital Kohn-Sham theory Kohn Kohn orbitals Kohn-Sham Kohn-Sham atomic orbitals Kohn-Sham density functional theory, orbital Kohn-Sham density functional theory, orbital occupation numbers Kohn-Sham molecular orbital method Kohn-Sham orbital eigenvalues Kohn-Sham orbital energies Kohn-Sham orbital expansion Kohn-Sham orbitals Kohn-Sham orbitals Kohn-Sham orbitals Density functional theory Kohn-Sham orbitals and potentials for beryllium by means of local scaling transformations Kohn-Sham orbitals requirements Kohn-Sham orbitals theory Kohn-Sham orbitals, comparison Kohn-Sham scheme/orbitals Molecular orbitals Kohn-Sham Orbitals self-consistent, Kohn-Sham, structure Shams The Kohn-Sham Molecular Orbital Model