Density functional calculations on neon satellites

A simple density-functional formalism, within the single-determinantal approach, has been employed to calculate the non-relativistic energies and densities for various satellites in the neon atom. 2s–ns and 2p–np (n=3–6) satellites accompanying 1s ionization and several Ne+ excited states, originating from the simultaneous excitation of 2s and 2p valence electrons, are calculated. A Kohn–Sham-type differential equation is solved numerically by employing the work–function-based potential of Harbola and Sahni for exchange and the Lee–Yang–Parr closed-shell functional for correlation. Results are compared with experimental and theoretical data. The overall agreement with experiment is satisfactory, with deviations in the range of 0.3–3.9%. Two new states 1s22p6ns (2S) (n=5,6) are reported.