<span style="font-size:14.0pt;line-height: 115%;font-family:"Times New Roman";mso-fareast-font-family:"Times New Roman"; color:black;mso-ansi-language:EN-IN;mso-fareast-language:EN-IN;mso-bidi-language: HI" lang="EN-IN">A density functional calculation of Ar⁺⁺(3<i>s</i>²3<i>p</i>³<i>nl</i>) satellite states</span>

Abstract

The correlation states (satellites) of atoms, particularly of charged ions, are difficult to compute accurately. In this work, we present and discuss the results of Ar⁺⁺(3<i>s</i>²3<i>p</i>³<i>nl</i>) satellite states, calculated by employing a simple density-functional formalism within a single determinantal approach along with Slater's sum rule. A Kohn-Sham-type differential equation is solved numerically by employing the work-function-based potential of Harbola and Sahni for exchange while for correlation, the effects of two different correlation energy

functionals (local Wigner and nonlocal Lee-Yang-Parr) have been studied. In some cases, Lee- Yang-Parr functional gives better results, while for others Wigner functional turns out to be better. About forty states are reported for the first time.