DENSITY-FUNCTIONAL CALCULATION OF COMPLEX ATOMIC SPECTRA

A density functional formalism, based on the Harbola-Sahni approach, i s suggested for calculating the term energies associated with open-she ll atomic configurations. The accuracy of the method is demonstrated f or carbon and silicon electronic configurations corresponding to singl e- and double-electron excitations. The exchange-only energy values fo r multiplets associated with the ground-state configuration have also been calculated, the maximum error being 0.03% compared to the Hartree -Fock results. The error in the single- and double-electron excitation energies is within 4.5% compared to the experimental results.