Key to notation
45 Rh [Kr] 4d^8 5s^1
LDA LSD RLDA ScRLDA
Etot = -4683.301031 -4683.334925 -4774.469912 -4773.571808
Ekin = 4680.264572 4680.304702 4964.562602 4930.989838
Ecoul = 1923.261557 1923.496867 1947.339689 1945.215295
Eenuc = -11155.543060 -11155.811524 -11558.347859 -11521.964683
Exc = -131.284100 -131.324970 -128.024344 -127.812259
1s -821.136773 -821.131404 -841.527980 -842.009256
-821.130514
2s -116.806950 -116.806912 -122.138346 -122.234105
-116.795666
2p -108.357665 -108.356371 -113.259629 -109.739040
-108.347604 -107.990619
3s -20.765603 -20.764176 -21.815115 -21.830793
-20.756001
3p -17.415299 -17.414175 -18.314293 -17.704518
-17.405379 -17.406827
3d -11.217250 -11.217387 -11.157356 -11.058900
-11.206033 -10.977528
4s -2.825505 -2.843034 -3.022467 -3.024167
-2.796433
4p -1.806456 -1.824610 -1.952502 -1.853949
-1.776713 -1.807833
4d -0.239422 -0.258368 -0.235323 -0.226496
-0.208943 -0.220818
5s -0.154624 -0.168508 -0.167861 -0.167846
-0.131421
45 Rh+ [Kr] 4d^8
LDA LSD RLDA ScRLDA
Etot = -4683.033809 -4683.055688 -4774.184700 -4773.286646
Ekin = 4680.014168 4680.039086 4964.255412 4930.701772
Ecoul = 1910.952577 1911.051569 1934.760095 1932.633819
Eenuc = -11142.878500 -11142.998376 -11545.345241 -11508.979248
Exc = -131.122054 -131.147967 -127.854965 -127.642989
1s -821.414276 -821.411698 -841.812367 -842.293453
-821.411503
2s -117.080858 -117.083831 -122.418171 -122.513942
-117.072512
2p -108.631824 -108.633492 -113.539788 -110.019132
-108.624775 -108.270677
3s -21.040887 -21.042297 -22.096304 -22.112039
-21.034490
3p -17.690554 -17.692278 -18.595441 -17.985747
-17.683826 -17.688010
3d -11.492151 -11.495202 -11.438132 -11.339748
-11.484033 -11.258321
4s -3.104259 -3.124867 -3.307128 -3.308898
-3.078340
4p -2.086003 -2.107028 -2.238029 -2.139768
-2.059732 -2.093684
4d -0.516210 -0.535863 -0.518303 -0.509326
-0.492052 -0.503421
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