Key to notation
62      Sm      [Xe] 4f^6 6s^2 

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 -1617.153480 2s -255.498846 -255.468071 -278.515205 -1704.693193 -255.464242 2p -242.729726 -242.698734 -264.291343 -278.930315 -242.696455 -242.378584 3s -55.731133 -55.738394 -61.034322 -249.216136 -55.650047 3p -50.084260 -50.088184 -54.858318 -61.125176 -50.006966 -50.418981 3d -39.528656 -39.522730 -39.624800 -51.803619 -39.462389 -38.655428 4s -10.844667 -10.899734 -12.106389 -39.107863 -10.724007 4p -8.672685 -8.727816 -9.731834 -12.124265 -8.552998 -8.750785 4d -4.814978 -4.870173 -4.823664 -9.051760 -4.697796 -4.647668 4f -0.217760 -0.268480 -0.113589 -4.725904 -0.119511 -0.093594 5s -1.408552 -1.440098 -1.585793 -0.102397 -1.357441 5p -0.835987 -0.861438 -0.946807 -1.588285 -0.796081 -0.816537 6s -0.128259 -0.131095 -0.136363 -0.855470 -0.124603 -0.136376 62 Sm+ [Xe] 4f^6 6s^1
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
Return to periodic table