Key to notation
19      K       [Ar] 4s^1

LDA LSD RLDA ScRLDA Etot = -598.200590 -598.206032 -600.211193 -600.208027 Ekin = 597.172130 597.179968 603.251432 602.687891 Ecoul = 257.381524 257.437000 258.181811 258.123548 Eenuc = -1421.104115 -1421.164934 -1430.221810 -1429.606938 Exc = -31.650129 -31.658067 -31.422626 -31.412527 1s -128.414957 -128.412121 -128.777290 -128.794320 -128.411524 2s -12.839001 -12.836233 -12.925726 -12.927874 -12.835619 2p -10.283851 -10.281051 -10.353198 -10.284902 -10.280487 -10.247484 3s -1.281897 -1.279838 -1.291541 -1.291669 -1.278173 3p -0.693776 -0.692217 -0.699110 -0.692545 -0.689575 -0.689160 4s -0.088815 -0.096201 -0.089121 -0.089123 -0.074380 19 K+ [Ne] 3s^2 3p^6
LDA LSD RLDA ScRLDA Etot = -598.039506 -598.039506 -600.049489 -600.046323 Ekin = 597.022039 597.022039 603.099500 602.536600 Ecoul = 253.198619 253.198619 253.985580 253.927277 Eenuc = -1416.720316 -1416.720316 -1425.822605 -1425.208322 Exc = -31.539848 -31.539848 -31.311963 -31.301877 1s -128.642952 -128.642952 -129.006055 -129.023072 -128.642952 2s -13.066726 -13.066726 -13.154174 -13.156324 -13.066726 2p -10.511548 -10.511548 -10.581613 -10.513318 -10.511548 -10.475897 3s -1.508080 -1.508080 -1.518463 -1.518596 -1.508080 3p -0.918369 -0.918369 -0.924457 -0.917842 -0.918369 -0.914422
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