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Atomic Reference Data for Electronic Structure Calculations, Europium

Europium

Key to notation
63 Eu [Xe] 4f7 6s2
EnergyLDALSDRLDAScRLDA
Etot =-10419.710775-10420.023146-10826.732435-10818.775287
Ekin =10415.16816210415.50540111734.85216711554.331287
Ecoul =4124.1898564126.2623634216.9757164207.288219
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
EnergyLDALSDRLDAScRLDA
Etot =-10419.496132-10419.820399-10826.504319-10818.547213
Ekin =10414.96781510415.31999611734.60474011554.100303
Ecoul =4110.2802504112.4744814202.6483844192.948153
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

 

Created October 15, 2015, Updated April 24, 2017