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
Erbium; Er  [Xe] 4f12 6s2
LDA LSD RLDA ScRLDA
Etot -12494.718304 -12494.746152 -13068.169202 -13055.061842
Ekin 12489.682402 12489.712207 14376.130835 14108.042664
Ecoul 5005.110005 5005.227549 5127.726897 5114.219595
Eenuc -29730.765707 -29730.908576 -32324.747955 -32030.841083
Exc -258.745003 -258.777332 -247.278978 -246.483018
1s -1961.799176 -1961.797035 -2092.062806 -2094.758337
-1961.797030
2s -316.310631 -316.309432 -351.719264 -352.348833
-316.307167
2p -302.018270 -302.016669 -335.334797 -312.136138
-302.015286 -302.036272
3s -70.310142 -70.327259 -78.823733 -78.966296
-70.287661
3p -63.818655 -63.834113 -71.573655 -66.698513
-63.797882 -64.574810
3d -51.682149 -51.692892 -52.088642 -51.264473
-51.666213 -50.550603
4s -13.423547 -13.453738 -15.518822 -15.546812
-13.388718
4p -10.819574 -10.849515 -12.613406 -11.501076
-10.785065 -11.030459
4d -6.127443 -6.156868 -6.225804 -6.063848
-6.093618 -5.936804
4f -0.278577 -0.304697 -0.150730 -0.128341
-0.249010 -0.110786
5s -1.616073 -1.627896 -1.899052 -1.902656
-1.603272
5p -0.935202 -0.944381 -1.112665 -0.972445
-0.925366 -0.916053
6s -0.134905 -0.135650 -0.146084 -0.146042
-0.134146
Erbium; Er+  [Xe] 4f12 6s1
LDA LSD RLDA ScRLDA
Etot -12494.494134 -12494.529960 -13067.927245 -13054.819994
Ekin 12489.472991 12489.513543 14375.857670 14107.792222
Ecoul 4989.327804 4989.572694 5111.276003 5097.746242
Eenuc -29714.699413 -29714.978633 -32307.934808 -32014.028561
Exc -258.595516 -258.637565 -247.126110 -246.329898
1s -1962.034521 -1962.030569 -2092.308599 -2095.004265
-1962.030220
2s -316.545274 -316.542237 -351.963601 -352.593466
-316.539767
2p -302.253018 -302.249571 -335.579345 -312.380888
-302.247987 -302.280695
3s -70.544064 -70.559309 -79.066608 -79.209531
-70.519655
3p -64.052610 -64.066201 -71.816606 -66.941770
-64.029900 -64.817688
3d -51.916190 -51.925077 -52.331688 -51.507857
-51.898298 -50.793618
4s -13.657889 -13.686238 -15.762256 -15.790620
-13.621042
4p -11.053953 -11.082068 -12.856914 -11.745091
-11.017408 -11.274163
4d -6.361899 -6.389539 -6.469703 -6.308156
-6.325988 -6.180772
4f -0.513018 -0.537684 -0.395194 -0.373129
-0.480987 -0.355198
5s -1.850983 -1.862027 -2.146147 -2.150054
-1.835123
5p -1.168969 -1.178156 -1.359313 -1.219006
-1.155235 -1.162119
6s -0.317249 -0.328652 -0.342011 -0.342062
-0.298921