Key to notation
38      Sr      [Kr] 5s^2

LDA LSD RLDA ScRLDA Etot = -3129.453161 -3129.453161 -3172.705798 -3172.404762 Ekin = 3126.990706 3126.990706 3260.414661 3245.575881 Ecoul = 1308.954372 1308.954372 1321.799184 1320.779520 Eenuc = -7465.641817 -7465.641817 -7657.093368 -7641.052032 Exc = -99.756422 -99.756422 -97.826276 -97.708130 1s -572.870169 -572.870169 -582.396573 -582.641621 -572.870169 2s -76.491823 -76.491823 -78.942254 -78.987134 -76.491823 2p -69.745941 -69.745941 -71.966857 -70.316524 -69.745941 -69.472262 3s -11.771585 -11.771585 -12.191073 -12.197205 -11.771585 3p -9.301863 -9.301863 -9.643296 -9.387429 -9.301863 -9.259810 3d -4.813498 -4.813498 -4.752585 -4.715057 -4.813498 -4.685370 4s -1.455317 -1.455317 -1.500565 -1.501174 -1.455317 4p -0.844489 -0.844489 -0.869355 -0.840231 -0.844489 -0.826121 5s -0.131793 -0.131793 -0.133639 -0.133654 -0.131793 38 Sr+ [Kr] 5s^1
LDA LSD RLDA ScRLDA Etot = -3129.233889 -3129.240801 -3172.483393 -3172.182346 Ekin = 3126.786032 3126.795708 3260.200400 3245.364798 Ecoul = 1300.205154 1300.262836 1312.934532 1311.913856 Eenuc = -7456.620529 -7456.686091 -7647.945878 -7631.906689 Exc = -99.604546 -99.613254 -97.672447 -97.554311 1s -573.106170 -573.104778 -582.635789 -582.880823 -573.104159 2s -76.727435 -76.725996 -79.180976 -79.225880 -76.725551 2p -69.981571 -69.980116 -72.205589 -70.555274 -69.979692 -69.710987 3s -12.006751 -12.005505 -12.429346 -12.435508 -12.004754 3p -9.537015 -9.535785 -9.881554 -9.625704 -9.535004 -9.498046 3d -5.048626 -5.047421 -4.990795 -4.953294 -5.046593 -4.923573 4s -1.687471 -1.687489 -1.735879 -1.736522 -1.684594 4p -1.075057 -1.075807 -1.103115 -1.073816 -1.071397 -1.059565 5s -0.310528 -0.321055 -0.315042 -0.315081 -0.293458
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