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Atomic Reference Data
for Electronic Structure Calculations

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Cadmium

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48   Cd   [Kr] 4d10 5s2
Energy   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
-941.476646		 -968.685259 -969.310165
2s -136.832490 -136.832490
-136.832490		 -143.971950 -144.099975
2p -127.635120 -127.635120
-127.635120		 -134.228401
-127.218969		 -129.523048
3s -25.379908 -25.379908
-25.379908		 -26.826880 -26.849077
3p -21.637522 -21.637522
-21.637522		 -22.890728
-21.637989		 -22.045804
3d -14.685252 -14.685252
-14.685252		 -14.613763
-14.357938		 -14.474437
4s -3.596069 -3.596069
-3.596069		 -3.874574 -3.877079
4p -2.395260 -2.395260
-2.395260		 -2.605274
-2.389721		 -2.457772
4d -0.470530 -0.470530
-0.470530		 -0.454121
-0.428348		 -0.438592
5s -0.204228 -0.204228
-0.204228		 -0.218221 -0.218222


48   Cd+   [Kr] 4d10 5s1
Energy   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
-941.792879		 -969.013341 -969.638063
2s -137.147869 -137.146447
-137.146208		 -144.296135 -144.424186
2p -127.950692 -127.949319
-127.948981		 -134.552859
-127.543329		 -129.847454
3s -25.696202 -25.695102
-25.694355		 -27.152029 -27.174297
3p -21.953796 -21.952686
-21.951957		 -23.215845
-21.963130		 -22.371008
3d -15.001258 -15.000056
-14.999488		 -14.938572
-14.682762		 -14.799329
4s -3.914158 -3.913549
-3.912206		 -4.201748 -4.204337
4p -2.713576 -2.713321
-2.711307		 -2.932777
-2.717389		 -2.785474
4d -0.786279 -0.788652
-0.752966		 -0.779052
-0.781299		 -0.763423
5s -0.467975 -0.481110
-0.449823		 -0.493205 -0.493257
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