Key to notation
76      Os      [Xe] 4f^14 5d^6 6s^2

LDA LSD RLDA ScRLDA Etot = -16286.295408 -16286.375492 -17237.891426 -17210.516806 Ekin = 16280.510034 16280.602886 19497.654522 19010.365442 Ecoul = 6537.173416 6537.708331 6735.590870 6712.918147 Eenuc = -38791.574393 -38792.187710 -43174.748804 -42638.478646 Exc = -312.404466 -312.498998 -296.388014 -295.321749 1s -2475.238617 -2475.230617 -2691.929615 -2696.350719 -2475.230330 2s -409.522396 -409.518648 -469.062660 -470.130700 -409.509887 2p -393.154080 -393.149454 -449.420042 -410.029278 -393.142414 -393.875269 3s -94.501324 -94.495602 -109.196350 -109.453174 -94.491231 3p -86.837047 -86.831305 -100.353168 -91.766852 -86.826947 -88.228465 3d -72.497183 -72.492312 -73.344765 -71.930129 -72.486123 -70.703374 4s -19.362527 -19.359132 -23.012681 -23.068246 -19.350824 4p -16.119671 -16.116540 -19.292789 -17.253310 -16.107708 -16.434663 4d -10.176082 -10.173814 -10.307655 -10.012243 -10.163251 -9.775568 4f -2.321175 -2.321453 -1.985441 -1.933105 -2.305740 -1.882236 5s -2.738293 -2.766534 -3.350595 -3.358819 -2.693546 5p -1.757404 -1.788715 -2.196894 -1.871239 -1.709392 -1.746762 5d -0.296791 -0.329837 -0.262655 -0.238716 -0.249297 -0.223913 6s -0.191489 -0.205619 -0.233439 -0.233282 -0.173551 76 Os+ [Xe] 4f^14 5d^6 6s^1
LDA LSD RLDA ScRLDA Etot = -16285.988430 -16286.097680 -17237.530475 -17210.156037 Ekin = 16280.221710 16280.350780 19497.170016 19009.950746 Ecoul = 6516.155659 6516.918617 6713.171437 6690.475376 Eenuc = -38770.156644 -38771.031914 -43151.699974 -42615.476432 Exc = -312.209155 -312.335164 -296.171953 -295.105726 1s -2475.518489 -2475.507570 -2692.229451 -2696.650358 -2475.506789 2s -409.800873 -409.794398 -469.359631 -470.427886 -409.785265 2p -393.432631 -393.425255 -449.717221 -410.326517 -393.417862 -394.172247 3s -94.780096 -94.771568 -109.493579 -109.750715 -94.766842 3p -87.115816 -87.107269 -100.650384 -92.064387 -87.102556 -88.525690 3d -72.775827 -72.768177 -73.641780 -72.227471 -72.761634 -71.000404 4s -19.641394 -19.635328 -23.310049 -23.365951 -19.626366 4p -16.398525 -16.392741 -19.590143 -17.550995 -16.383222 -16.732006 4d -10.454889 -10.450011 -10.604922 -10.309845 -10.438687 -10.072827 4f -2.599967 -2.597722 -2.282697 -2.230705 -2.581054 -2.179494 5s -3.017495 -3.043835 -3.648163 -3.656739 -2.968003 5p -2.036775 -2.066421 -2.494843 -2.169775 -1.983239 -2.045013 5d -0.571223 -0.605467 -0.554663 -0.530165 -0.511779 -0.514365 6s -0.427041 -0.450412 -0.493161 -0.493236 -0.384155
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