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Atomic Reference Data
for Electronic Structure Calculations


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Europium

Key to notation
ASCII text
63   Eu   [Xe] 4f7 6s2

Energy   LDA     LSD     RLDA     ScRLDA

Etot = -10419.710775 -10420.023146 -10826.732435 -10818.775287
Ekin = 10415.168162 10415.505401 11734.852167 11554.331287
Ecoul = 4124.189856 4126.262363 4216.975716 4207.288219
Eenuc = -24732.674220 -24735.018823 -26561.180412 -26363.657072
Exc = -226.394574 -226.772086 -217.379906 -216.737721

1s -1672.309322 -1672.271303
-1672.271295
-1764.427481 -1766.373116
2s -265.199534 -265.160562
-265.155565
-289.994007 -290.439989
2p -252.176697 -252.137428
-252.134433
-275.422638
-251.870890
-259.186835
3s -58.068128 -58.075734
-57.966734
-63.827931 -63.926186
3p -52.281987 -52.285445
-52.185348
-57.478628
-52.675037
-54.166802
3d -41.465518 -41.456817
-41.382609
-41.603296
-40.552431
-41.042507
4s -11.267747 -11.330857
-11.121462
-12.648456 -12.667811
4p -9.025455 -9.088586
-8.880446
-10.189035
-9.122308
-9.447968
4d -5.032420 -5.095562
-4.890583
-5.053427
-4.861212
-4.946526
4f -0.232773 -0.291137
-0.113704
-0.124443
-0.101658
-0.111716
5s -1.444087 -1.479601
-1.384683
-1.636699 -1.639370
5p -0.853575 -0.882201
-0.807455
-0.974090
-0.834029
-0.875628
6s -0.129426 -0.132555
-0.125368
-0.137952 -0.137961
63   Eu+   [Xe] 4f7 6s1

Energy   LDA     LSD     RLDA     ScRLDA

Etot = -10419.496132 -10419.820399 -10826.504319 -10818.547213
Ekin = 10414.967815 10415.319996 11734.604740 11554.100303
Ecoul = 4110.280250 4112.474481 4202.648384 4192.948153
Eenuc = -24718.493920 -24720.975310 -26546.523611 -26349.004136
Exc = -226.250276 -226.639566 -217.233832 -216.591534

1s -1672.533478 -1672.493564
-1672.493222
-1764.658770 -1766.604458
2s -265.423016 -265.382370
-265.377157
-290.223959 -290.670116
2p -252.400278 -252.359276
-252.356078
-275.652782
-252.100937
-259.417081
3s -58.290886 -58.297209
-58.187855
-64.056481 -64.154956
3p -52.504778 -52.506933
-52.406495
-57.707247
-52.903596
-54.395597
3d -41.688393 -41.678336
-41.603828
-41.832014
-40.781123
-41.271428
4s -11.490842 -11.552461
-11.342382
-12.877544 -12.897129
4p -9.248589 -9.310210
-9.101349
-10.418206
-9.351633
-9.677473
4d -5.255635 -5.317226
-5.111425
-5.282970
-5.090810
-5.176329
4f -0.455850 -0.512678
-0.333168
-0.354369
-0.331519
-0.341826
5s -1.667515 -1.700959
-1.603641
-1.868894 -1.871764
5p -1.075871 -1.103022
-1.024262
-1.205724
-1.065153
-1.107122
6s -0.303407 -0.315788
-0.280625
-0.322088 -0.322185

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