Properties | More Info | Isotopes | Spectra
Compounds | Reactions | Production
Atomic: M.A.C. | Reference
Diagrams: Shell | Atomic Radius | Electron || Images
Atomic Reference Data for Electronic Structure Calculations
Samarium; Sm  [Xe] 4f6 6s2
LDA LSD RLDA ScRLDA
Etot -10031.259090 -10031.483696 -10410.180577 -10403.010637
Ekin 10026.812733 10027.055760 11252.096773 11085.764075
Ecoul 3962.921783 3964.545812 4050.499508 4041.462756
Eenuc -23800.753315 -23802.569881 -25501.109752 -25319.183030
Exc -220.240290 -220.515387 -211.667105 -211.054438
1s -1617.183426 -1617.153484 -1702.874585 -1704.693193
-1617.153480
2s -255.498846 -255.468071 -278.515205 -278.930315
-255.464242
2p -242.729726 -242.698734 -264.291343 -249.216136
-242.696455 -242.378584
3s -55.731133 -55.738394 -61.034322 -61.125176
-55.650047
3p -50.084260 -50.088184 -54.858318 -51.803619
-50.006966 -50.418981
3d -39.528656 -39.522730 -39.624800 -39.107863
-39.462389 -38.655428
4s -10.844667 -10.899734 -12.106389 -12.124265
-10.724007
4p -8.672685 -8.727816 -9.731834 -9.051760
-8.552998 -8.750785
4d -4.814978 -4.870173 -4.823664 -4.725904
-4.697796 -4.647668
4f -0.217760 -0.268480 -0.113589 -0.102397
-0.119511 -0.093594
5s -1.408552 -1.440098 -1.585793 -1.588285
-1.357441
5p -0.835987 -0.861438 -0.946807 -0.855470
-0.796081 -0.816537
6s -0.128259 -0.131095 -0.136363 -0.136376
-0.124603
Samarium; Sm+  [Xe] 4f6 6s1
LDA LSD RLDA ScRLDA
Etot -10031.046484 -10031.282335 -10409.955229 -10402.785325
Ekin 10026.614320 10026.871613 11251.853950 11085.536719
Ecoul 3949.384720 3951.109946 4036.598960 4027.550621
Eenuc -23786.948370 -23788.880547 -25486.885407 -25304.962699
Exc -220.097153 -220.383348 -211.522732 -210.909966
1s -1617.405158 -1617.373624 -1703.102666 -1704.921317
-1617.373282
2s -255.719910 -255.687754 -278.741959 -279.157230
-255.683707
2p -242.950887 -242.918457 -264.518287 -249.443172
-242.915973 -242.605435
3s -55.951473 -55.957740 -61.259667 -61.350724
-55.869033
3p -50.304632 -50.307542 -55.083730 -52.029193
-50.225976 -50.644335
3d -39.749113 -39.742120 -39.850314 -39.333564
-39.681473 -38.880918
4s -11.065321 -11.119207 -12.332265 -12.350353
-10.942777
4p -8.893378 -8.947309 -9.957796 -9.278037
-8.771752 -8.976896
4d -5.035752 -5.089710 -5.050003 -4.952484
-4.916489 -4.874058
4f -0.438352 -0.487875 -0.340271 -0.329243
-0.336813 -0.320206
5s -1.629493 -1.659340 -1.814749 -1.817427
-1.574276
5p -1.055798 -1.080132 -1.175196 -1.083723
-1.010798 -1.044439
6s -0.300443 -0.312496 -0.318063 -0.318163
-0.278652