Key to notation
70      Yb      [Xe] 4f^14 6s^2

LDA LSD RLDA ScRLDA Etot = -13388.048594 -13388.048594 -14041.650863 -14025.793582 Ekin = 13382.810298 13382.810298 15546.613833 15234.355561 Ecoul = 5393.365097 5393.365097 5529.800732 5514.470370 Eenuc = -31891.798397 -31891.798397 -34858.209836 -34515.623125 Exc = -272.425592 -272.425592 -259.855592 -258.996388 1s -2084.069389 -2084.069389 -2232.744223 -2235.800647 -2084.069389 2s -337.978976 -337.978976 -378.542000 -379.260622 -337.978976 2p -323.178219 -323.178219 -361.392890 -334.791849 -323.178219 -323.378212 3s -75.476630 -75.476630 -85.341399 -85.505588 -75.476630 3p -68.698655 -68.698655 -77.713674 -72.064438 -68.698655 -69.638385 3d -56.026315 -56.026315 -56.573203 -55.620770 -56.026315 -54.799064 4s -14.312076 -14.312076 -16.757710 -16.789777 -14.312076 4p -11.558246 -11.558246 -13.662756 -12.365995 -11.558246 -11.826261 4d -6.574963 -6.574963 -6.713410 -6.524460 -6.574963 -6.377479 4f -0.286408 -1.683886 -2.010734 -0.124297 -1.683886 5s -1.683886 -0.966137 -1.171334 -2.014692 -0.966137 -0.947869 5p -0.966137 -0.286408 -0.151680 -1.010943 -0.286408 -0.103151 6s -0.136989 -0.136989 -0.149522 -0.149437 -0.136989 70 Yb+ [Xe] 4f^14 6s^1
LDA LSD RLDA ScRLDA Etot = -13387.820814 -13387.827982 -14041.403192 -14025.546074 Ekin = 13382.597446 13382.607422 15546.328629 15234.096442 Ecoul = 5376.825175 5376.930340 5512.495434 5497.135263 Eenuc = -31874.969184 -31875.082432 -34840.526634 -34497.936728 Exc = -272.274251 -272.283312 -259.700621 -258.841051 1s -2084.308883 -2084.307451 -2232.995325 -2236.051957 -2084.307105 2s -338.217756 -338.216276 -378.791569 -379.510579 -338.216071 2p -323.417108 -323.415621 -361.642683 -335.041925 -323.415422 -323.627865 3s -75.714688 -75.713141 -85.589445 -85.754097 -75.713103 3p -68.936746 -68.935205 -77.961801 -72.312970 -68.935153 -69.886432 3d -56.264492 -56.262967 -56.821425 -55.869432 -56.262880 -55.047252 4s -14.550578 -14.549097 -17.006316 -17.038864 -14.548944 4p -11.796784 -11.795321 -13.911434 -12.615303 -11.795135 -12.075158 4d -6.813576 -6.812157 -6.962500 -6.774071 -6.811889 -6.626648 5s -1.923072 -1.922781 -2.263392 -0.374466 -1.920517 5p -1.204182 -1.204685 -1.423629 -2.267730 -1.200792 -1.199579 4f -0.525040 -0.523957 -0.401425 -1.263220 -0.523063 -0.352846 6s -0.322487 -0.333456 -0.350146 -0.350156 -0.304908
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