Key to notation
18      Ar      [Ne] 3s^2 3p^6

LDA LSD RLDA ScRLDA Etot = -525.946195 -525.946195 -527.519049 -527.516861 Ekin = 524.969812 524.969812 529.722274 529.289796 Ecoul = 231.458124 231.458124 232.084684 232.039165 Eenuc = -1253.131982 -1253.131982 -1260.276935 -1259.804890 Exc = -29.242149 -29.242149 -29.049073 -29.040931 1s -113.800134 -113.800134 -114.077082 -114.090739 -113.800134 2s -10.794172 -10.794172 -10.860926 -10.862548 -10.794172 2p -8.443439 -8.443439 -8.496195 -8.443407 -8.443439 -8.414503 3s -0.883384 -0.883384 -0.890597 -0.890665 -0.883384 3p -0.382330 -0.382330 -0.386117 -0.381755 -0.382330 -0.379536 18 Ar+ [Ne] 3s^2 3p^5
LDA LSD RLDA ScRLDA Etot = -525.351708 -525.360439 -526.925158 -526.922988 Ekin = 524.405209 524.415343 529.159434 528.726456 Ecoul = 222.915201 222.931863 223.540133 223.494144 Eenuc = -1243.839462 -1243.864822 -1250.984964 -1250.512001 Exc = -28.832655 -28.842824 -28.639761 -28.631587 1s -114.320786 -114.323636 -114.597712 -114.611399 -114.315081 2s -11.303467 -11.306779 -11.370318 -11.371966 -11.297743 2p -8.954227 -8.958583 -9.007099 -8.954282 -8.947394 -8.925325 3s -1.337427 -1.355033 -1.345128 -1.345230 -1.317092 3p -0.816635 -0.832895 -0.821030 -0.816132 -0.797921 -0.813594
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