Key to notation
32 Ge [Ar] 3d^10 4s^2 4p^2
LDA LSD RLDA ScRLDA
Etot = -2073.807332 -2073.829860 -2094.057595 -2093.959277
Ekin = 2071.782093 2071.810411 2133.772372 2127.263869
Ecoul = 895.945638 896.161607 901.819920 901.341795
Eenuc = -4965.789424 -4966.025799 -5055.066254 -5048.045180
Exc = -75.745640 -75.776078 -74.583632 -74.519761
1s -396.292991 -396.286773 -400.679718 -400.803613
-396.284458
2s -49.055282 -49.048574 -50.187321 -50.207818
-49.047574
2p -43.720129 -43.713794 -44.730430 -43.966297
-43.711998 -43.567264
3s -5.961472 -5.955859 -6.147224 -6.149280
-5.953137
3p -4.194822 -4.189493 -4.339944 -4.235425
-4.186209 -4.182988
3d -1.117316 -1.113417 -1.100605 -1.087994
-1.107268 -1.079068
4s -0.426523 -0.442567 -0.438118 -0.438208
-0.395513
4p -0.149882 -0.165716 -0.153561 -0.148755
-0.120492 -0.146434
32 Ge+ [Ar] 3d^10 4s^2 4p^1
LDA LSD RLDA ScRLDA
Etot = -2073.525877 -2073.533337 -2093.777063 -2093.678830
Ekin = 2071.520973 2071.530367 2133.513969 2127.004816
Ecoul = 885.543646 885.590042 891.398175 890.920053
Eenuc = -4955.073535 -4955.127451 -5044.333997 -5037.312348
Exc = -75.516961 -75.526295 -74.355209 -74.291351
1s -396.629338 -396.628420 -401.016606 -401.140497
-396.626931
2s -49.388690 -49.387396 -50.521268 -50.541761
-49.386742
2p -44.053954 -44.052908 -45.064832 -44.300660
-44.051745 -43.901617
3s -6.294617 -6.293976 -6.480943 -6.482999
-6.292209
3p -4.527944 -4.527487 -4.673656 -4.569137
-4.525355 -4.516697
3d -1.449573 -1.450017 -1.433445 -1.420815
-1.446063 -1.411873
4s -0.725841 -0.738641 -0.739201 -0.739310
-0.708866
4p -0.422156 -0.435002 -0.427705 -0.421476
-0.404962 -0.418425
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