Key to notation
48 Cd [Kr] 4d^10 5s^2
LDA LSD RLDA ScRLDA
Etot = -5462.390982 -5462.390982 -5583.648689 -5582.286913
Ekin = 5459.099922 5459.099922 5839.236393 5793.217213
Ecoul = 2233.419308 2233.419308 2265.151850 2262.334423
Eenuc = -13008.902423 -13008.902423 -13545.979295 -13496.044867
Exc = -146.007788 -146.007788 -142.057637 -141.793682
1s -941.476646 -941.476646 -968.685259 -969.310165
-941.476646
2s -136.832490 -136.832490 -143.971950 -144.099975
-136.832490
2p -127.635120 -127.635120 -134.228401 -129.523048
-127.635120 -127.218969
3s -25.379908 -25.379908 -26.826880 -26.849077
-25.379908
3p -21.637522 -21.637522 -22.890728 -22.045804
-21.637522 -21.637989
3d -14.685252 -14.685252 -14.613763 -14.474437
-14.685252 -14.357938
4s -3.596069 -3.596069 -3.874574 -3.877079
-3.596069
4p -2.395260 -2.395260 -2.605274 -2.457772
-2.395260 -2.389721
4d -0.470530 -0.470530 -0.454121 -0.438592
-0.470530 -0.428348
5s -0.204228 -0.204228 -0.218221 -0.218222
-0.204228
48 Cd+ [Kr] 4d^10 5s^1
LDA LSD RLDA ScRLDA
Etot = -5462.057784 -5462.065582 -5583.295907 -5581.934171
Ekin = 5458.786757 5458.796900 5838.860540 5792.862560
Ecoul = 2218.407164 2218.471171 2249.707430 2246.887349
Eenuc = -12993.458446 -12993.530300 -13530.030073 -13480.114138
Exc = -145.793259 -145.803354 -141.833804 -141.569943
1s -941.794919 -941.793920 -969.013341 -969.638063
-941.792879
2s -137.147869 -137.146447 -144.296135 -144.424186
-137.146208
2p -127.950692 -127.949319 -134.552859 -129.847454
-127.948981 -127.543329
3s -25.696202 -25.695102 -27.152029 -27.174297
-25.694355
3p -21.953796 -21.952686 -23.215845 -22.371008
-21.951957 -21.963130
3d -15.001258 -15.000056 -14.938572 -14.799329
-14.999488 -14.682762
4s -3.914158 -3.913549 -4.201748 -4.204337
-3.912206
4p -2.713576 -2.713321 -2.932777 -2.785474
-2.711307 -2.717389
4d -0.786279 -0.788652 -0.779052 -0.763423
-0.781299 -0.752966
5s -0.467975 -0.481110 -0.493205 -0.493257
-0.449823
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