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Atomic Reference Data for Electronic Structure Calculations, Europium
Europium (Key to notation)
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 |
Created October 15, 2015, Updated September 4, 2024