Key to notation
82 Pb [Xe] 4f^14 5d^10 6s^2 6p^2
LDA LSD RLDA ScRLDA
Etot = -19518.993145 -19519.010773 -20872.887097 -20827.188652
Ekin = 19512.662684 19512.685289 24203.982259 23456.921585
Ecoul = 7781.994459 7782.343079 8060.985186 8027.843592
Eenuc = -46459.627742 -46459.993126 -52804.004616 -51979.373091
Exc = -354.022546 -354.046015 -333.849926 -332.580738
1s -2901.078061 -2901.073968 -3209.559491 -3215.862876
-2901.073264
2s -488.843335 -488.839044 -574.220773 -575.785358
-488.838798
2p -470.877785 -470.873595 -551.761782 -494.685076
-470.873136 -472.409787
3s -116.526852 -116.522662 -137.902276 -138.297315
-116.522270
3p -107.950391 -107.946232 -127.717013 -115.001988
-107.945774 -109.992083
3d -91.889924 -91.885734 -93.196164 -91.172486
-91.885331 -89.401978
4s -25.753330 -25.749334 -31.188199 -31.282373
-25.748612
4p -21.990564 -21.986589 -26.770858 -23.632578
-21.985825 -22.420348
4d -15.030026 -15.026070 -15.202782 -14.756230
-15.025272 -14.386516
4f -5.592532 -5.588614 -4.998502 -4.913467
-5.587748 -4.813673
5s -4.206797 -4.203583 -5.264036 -5.282191
-4.201576
5p -2.941657 -2.938665 -3.748596 -3.150698
-2.936250 -2.927281
5d -0.902393 -0.901432 -0.839121 -0.784774
-0.894992 -0.743864
6s -0.357187 -0.369628 -0.448677 -0.450774
-0.335143
6p -0.141831 -0.154876 -0.176692 -0.136111
-0.119481 -0.121877
82 Pb+ [Xe] 4f^14 5d^10 6s^2 6p^1
LDA LSD RLDA ScRLDA
Etot = -19518.738347 -19518.743995 -20872.631826 -20826.937914
Ekin = 19512.426823 19512.434090 24203.736015 23456.695435
Ecoul = 7759.233689 7759.306054 8037.654925 8004.624000
Eenuc = -46436.583491 -46436.661756 -52780.381969 -51955.883807
Exc = -353.815368 -353.822384 -333.640797 -332.373541
1s -2901.359475 -2901.358750 -3209.848016 -3216.149825
-2901.358306
2s -489.123890 -489.123028 -574.508135 -576.071304
-489.122871
2p -471.158460 -471.157663 -552.049374 -494.971135
-471.157372 -472.697230
3s -116.807238 -116.806431 -138.189451 -138.583105
-116.806183
3p -108.230799 -108.230013 -128.004220 -115.287794
-108.229722 -110.279269
3d -92.170309 -92.169504 -93.483295 -91.458233
-92.169247 -89.689106
4s -26.033586 -26.032894 -31.475289 -31.568084
-26.032437
4p -22.270819 -22.270141 -27.057952 -23.918281
-22.269657 -22.707427
4d -15.310263 -15.309596 -15.489837 -15.041903
-15.309090 -14.673565
4f -5.872744 -5.872100 -5.285530 -5.199117
-5.871552 -5.100697
5s -4.486572 -4.486343 -5.550862 -5.567634
-4.485066
5p -3.221355 -3.221265 -4.035446 -3.436175
-3.219725 -3.214138
5d -1.180875 -1.182037 -1.124743 -1.068883
-1.177989 -1.029080
6s -0.611068 -0.620400 -0.716099 -0.717507
-0.599125
6p -0.374139 -0.384038 -0.423787 -0.372662
-0.361311 -0.354490
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