| Atomic Reference Data for Electronic Structure Calculations |
|
| Europium; Eu [Xe] 4f7 6s2 |
|
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 |
-1764.427481 |
-1766.373116 |
|
|
|
-1672.271295 |
|
|
|
| 2s |
-265.199534 |
-265.160562 |
-289.994007 |
-290.439989 |
|
|
|
-265.155565 |
|
|
|
| 2p |
-252.176697 |
-252.137428 |
-275.422638 |
-259.186835 |
|
|
|
-252.134433 |
-251.870890 |
|
|
| 3s |
-58.068128 |
-58.075734 |
-63.827931 |
-63.926186 |
|
|
|
-57.966734 |
|
|
|
| 3p |
-52.281987 |
-52.285445 |
-57.478628 |
-54.166802 |
|
|
|
-52.185348 |
-52.675037 |
|
|
| 3d |
-41.465518 |
-41.456817 |
-41.603296 |
-41.042507 |
|
|
|
-41.382609 |
-40.552431 |
|
|
| 4s |
-11.267747 |
-11.330857 |
-12.648456 |
-12.667811 |
|
|
|
-11.121462 |
|
|
|
| 4p |
-9.025455 |
-9.088586 |
-10.189035 |
-9.447968 |
|
|
|
-8.880446 |
-9.122308 |
|
|
| 4d |
-5.032420 |
-5.095562 |
-5.053427 |
-4.946526 |
|
|
|
-4.890583 |
-4.861212 |
|
|
| 4f |
-0.232773 |
-0.291137 |
-0.124443 |
-0.111716 |
|
|
|
-0.113704 |
-0.101658 |
|
|
| 5s |
-1.444087 |
-1.479601 |
-1.636699 |
-1.639370 |
|
|
|
-1.384683 |
|
|
|
| 5p |
-0.853575 |
-0.882201 |
-0.974090 |
-0.875628 |
|
|
|
-0.807455 |
-0.834029 |
|
|
| 6s |
-0.129426 |
-0.132555 |
-0.137952 |
-0.137961 |
|
|
|
-0.125368 |
|
|
|
| Europium; Eu+ [Xe] 4f7 6s1 |
|
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 |
-1764.658770 |
-1766.604458 |
|
|
|
-1672.493222 |
|
|
|
| 2s |
-265.423016 |
-265.382370 |
-290.223959 |
-290.670116 |
|
|
|
-265.377157 |
|
|
|
| 2p |
-252.400278 |
-252.359276 |
-275.652782 |
-259.417081 |
|
|
|
-252.356078 |
-252.100937 |
|
|
| 3s |
-58.290886 |
-58.297209 |
-64.056481 |
-64.154956 |
|
|
|
-58.187855 |
|
|
|
| 3p |
-52.504778 |
-52.506933 |
-57.707247 |
-54.395597 |
|
|
|
-52.406495 |
-52.903596 |
|
|
| 3d |
-41.688393 |
-41.678336 |
-41.832014 |
-41.271428 |
|
|
|
-41.603828 |
-40.781123 |
|
|
| 4s |
-11.490842 |
-11.552461 |
-12.877544 |
-12.897129 |
|
|
|
-11.342382 |
|
|
|
| 4p |
-9.248589 |
-9.310210 |
-10.418206 |
-9.677473 |
|
|
|
-9.101349 |
-9.351633 |
|
|
| 4d |
-5.255635 |
-5.317226 |
-5.282970 |
-5.176329 |
|
|
|
-5.111425 |
-5.090810 |
|
|
| 4f |
-0.455850 |
-0.512678 |
-0.354369 |
-0.341826 |
|
|
|
-0.333168 |
-0.331519 |
|
|
| 5s |
-1.667515 |
-1.700959 |
-1.868894 |
-1.871764 |
|
|
|
-1.603641 |
|
|
|
| 5p |
-1.075871 |
-1.103022 |
-1.205724 |
-1.107122 |
|
|
|
-1.024262 |
-1.065153 |
|
|
| 6s |
-0.303407 |
-0.315788 |
-0.322088 |
-0.322185 |
|
|
|
-0.280625 |
|
|
|