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Atomic Reference Data
for Electronic Structure Calculations


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Platinum

Key to notation
ASCII text
78   Pt   [Xe] 4f14 5d9 6s1

Energy   LDA     LSD     RLDA     ScRLDA

Etot = -17326.576377 -17326.590110 -18399.215801 -18366.632397
Ekin = 17320.592847 17320.609710 20975.239528 20412.559146
Ecoul = 6958.348706 6958.546347 7178.033836 7152.388812
Eenuc = -41279.089979 -41279.301033 -46243.444057 -45623.668053
Exc = -326.427950 -326.445135 -309.045109 -307.912303

1s -2613.096532 -2613.094116
-2613.093624
-2857.485793 -2862.466310
2s -434.858003 -434.856671
-434.854095
-502.202126 -503.415250
2p -417.960530 -417.958967
-417.956843
-481.660768
-418.961606
-436.988473
3s -101.274869 -101.273007
-101.271514
-118.010661 -118.306156
3p -93.309108 -93.307239
-93.305758
-108.735067
-94.938089
-98.921767
3d -78.400271 -78.398627
-78.396696
-79.426231
-76.435279
-77.824850
4s -21.110651 -21.109418
-21.106712
-25.328067 -25.393016
4p -17.697297 -17.696143
-17.693280
-21.383680
-18.087196
-19.021554
4d -11.419476 -11.418557
-11.415227
-11.603639
-10.987462
-11.261688
4f -3.038049 -3.037646
-3.033285
-2.666956
-2.539966
-2.603179
5s -2.950526 -2.957320
-2.938520
-3.727034 -3.736270
5p -1.884256 -1.891890
-1.871371
-2.461916
-1.912464
-2.061800
5d -0.273634 -0.283902
-0.257852
-0.265999
-0.216936-0.216936
-0.235132
6s -0.161308 -0.172888
-0.143855
-0.218086 -0.217611



78   Pt+   [Xe] 4f14 5d9

Energy   LDA     LSD     RLDA     ScRLDA

Etot = -17326.300248 -17326.305178 -18398.866675 -18366.283753
Ekin = 17320.334387 17320.340026 20974.712911 20412.129186
Ecoul = 6936.594742 6936.626490 7154.545435 7128.866772
Eenuc = -41256.976406 -41257.012975 -46219.285439 -45599.572916
Exc = -326.252971 -326.258718 -308.839583 -307.706796

1s -2613.377672 -2613.377245
-2613.377161
-2857.791164 -2862.771428
2s -435.137400 -435.138216
-435.135655
-502.503805 -503.717227
2p -418.240000 -418.240567
-418.238502
-481.962711
-419.263282
-437.290506
3s -101.554890 -101.555111
-101.553764
-118.312929 -118.608855
3p -93.589113 -93.589326
-93.587993
-109.037303
-95.240360
-99.224460
3d -78.680070 -78.680537
-78.678691
-79.728175
-76.737252
-78.127252
4s -21.390972 -21.391760
-21.389319
-25.630696 -25.696109
4p -17.977609 -17.978471
-17.975880
-21.686294
-18.389823
-19.324645
4d -11.699743 -11.700838
-11.697781
-11.906185
-11.290010
-11.564704
4f -3.318381 -3.319985
-3.315905
-2.969598
-2.842619
-2.906300
5s -3.232724 -3.241519
-3.222971
-4.031025 -4.040753
5p -2.167177 -2.176569
-2.156819
-2.766743
-2.218232
-2.367803
5d -0.553524 -0.562950
-0.543223
-0.567995
-0.517367
-0.536707

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