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
Ytterbium; Yb  [Xe] 4f14 6s2
LDA LSD RLDA ScRLDA
Etot -13388.048594 -13388.048594 -14041.650863 -14025.793582
Ekin 13382.810298 13382.810298 15546.613833 15234.355561
Ecoul 5393.365097 5393.365097 5529.800732 5514.470370
Eenuc -31891.798397 -31891.798397 -34858.209836 -34515.623125
Exc -272.425592 -272.425592 -259.855592 -258.996388
1s -2084.069389 -2084.069389 -2232.744223 -2235.800647
-2084.069389
2s -337.978976 -337.978976 -378.542000 -379.260622
-337.978976
2p -323.178219 -323.178219 -361.392890 -334.791849
-323.178219 -323.378212
3s -75.476630 -75.476630 -85.341399 -85.505588
-75.476630
3p -68.698655 -68.698655 -77.713674 -72.064438
-68.698655 -69.638385
3d -56.026315 -56.026315 -56.573203 -55.620770
-56.026315 -54.799064
4s -14.312076 -14.312076 -16.757710 -16.789777
-14.312076
4p -11.558246 -11.558246 -13.662756 -12.365995
-11.558246 -11.826261
4d -6.574963 -6.574963 -6.713410 -6.524460
-6.574963 -6.377479
4f -0.286408 -1.683886 -2.010734 -0.124297
-1.683886
5s -1.683886 -0.966137 -1.171334 -2.014692
-0.966137 -0.947869
5p -0.966137 -0.286408 -0.151680 -1.010943
-0.286408 -0.103151
6s -0.136989 -0.136989 -0.149522 -0.149437
-0.136989
Ytterbium; Yb+  [Xe] 4f14 6s1
LDA LSD RLDA ScRLDA
Etot -13387.820814 -13387.827982 -14041.403192 -14025.546074
Ekin 13382.597446 13382.607422 15546.328629 15234.096442
Ecoul 5376.825175 5376.930340 5512.495434 5497.135263
Eenuc -31874.969184 -31875.082432 -34840.526634 -34497.936728
Exc -272.274251 -272.283312 -259.700621 -258.841051
1s -2084.308883 -2084.307451 -2232.995325 -2236.051957
-2084.307105
2s -338.217756 -338.216276 -378.791569 -379.510579
-338.216071
2p -323.417108 -323.415621 -361.642683 -335.041925
-323.415422 -323.627865
3s -75.714688 -75.713141 -85.589445 -85.754097
-75.713103
3p -68.936746 -68.935205 -77.961801 -72.312970
-68.935153 -69.886432
3d -56.264492 -56.262967 -56.821425 -55.869432
-56.262880 -55.047252
4s -14.550578 -14.549097 -17.006316 -17.038864
-14.548944
4p -11.796784 -11.795321 -13.911434 -12.615303
-11.795135 -12.075158
4d -6.813576 -6.812157 -6.962500 -6.774071
-6.811889 -6.626648
5s -1.923072 -1.922781 -2.263392 -0.374466
-1.920517
5p -1.204182 -1.204685 -1.423629 -2.267730
-1.200792 -1.199579
4f -0.525040 -0.523957 -0.401425 -1.263220
-0.523063 -0.352846
6s -0.322487 -0.333456 -0.350146 -0.350156
-0.304908