Skip to main content

NOTICE: Due to a lapse in annual appropriations, most of this website is not being updated. Learn more.

Form submissions will still be accepted but will not receive responses at this time. Sections of this site for programs using non-appropriated funds (such as NVLAP) or those that are excepted from the shutdown (such as CHIPS and NVD) will continue to be updated.

U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Atomic Reference Data for Electronic Structure Calculations, Ytterbium

Ytterbium (Key to notation)

70 Yb [Xe] 4f14 6s2

EnergyLDALSDRLDAScRLDA
Etot =-13388.048594-13388.048594-14041.650863-14025.793582
Ekin =13382.81029813382.81029815546.61383315234.355561
Ecoul =5393.3650975393.3650975529.8007325514.470370
Eenuc =-31891.798397-31891.798397-34858.209836-34515.623125
Exc =-272.425592-272.425592-259.855592-258.996388
1s-2084.069389-2084.069389
-2084.069389
-2232.744223-2235.800647
2s-337.978976-337.978976
-337.978976
-378.542000-379.260622
2p-323.178219-323.178219
-323.178219
-361.392890
-323.378212
-334.791849
3s-75.476630-75.476630
-75.476630
-85.341399-85.505588
3p-68.698655-68.698655
-68.698655
-77.713674
-69.638385
-72.064438
3d-56.026315-56.026315
-56.026315
-56.573203
-54.799064
-55.620770
4s-14.312076-14.312076
-14.312076
-16.757710-16.789777
4p-11.558246-11.558246
-11.558246
-13.662756
-11.826261
-12.365995
4d-6.574963-6.574963
-6.574963
-6.713410
-6.377479
-6.524460
4f-0.286408-1.683886
-1.683886
-2.010734-0.124297
5s-1.683886-0.966137
-0.966137
-1.171334
-0.947869
-2.014692
5p-0.966137-0.286408
-0.286408
-0.151680
-0.103151
-1.010943
6s-0.136989-0.136989
-0.136989
-0.149522-0.149437

70 Yb+ [Xe] 4f14 6s1

EnergyLDALSDRLDAScRLDA
Etot =-13387.820814-13387.827982-14041.403192-14025.546074
Ekin =13382.59744613382.60742215546.32862915234.096442
Ecoul =5376.8251755376.9303405512.4954345497.135263
Eenuc =-31874.969184-31875.082432-34840.526634-34497.936728
Exc =-272.274251-272.283312-259.700621-258.841051
1s-2084.308883-2084.307451
-2084.307105
-2232.995325-2236.051957
2s-338.217756-338.216276
-338.216071
-378.791569-379.510579
2p-323.417108-323.415621
-323.415422
-361.642683
-323.627865
-335.041925
3s-75.714688-75.713141
-75.713103
-85.589445-85.754097
3p-68.936746-68.935205
-68.935153
-77.961801
-69.886432
-72.312970
3d-56.264492-56.262967
-56.262880
-56.821425
-55.047252
-55.869432
4s-14.550578-14.549097
-14.548944
-17.006316-17.038864
4p-11.796784-11.795321
-11.795135
-13.911434
-12.075158
-12.615303
4d-6.813576-6.812157
-6.811889
-6.962500
-6.626648
-6.774071
5s-1.923072-1.922781
-1.920517
-2.263392-0.374466
5p-1.204182-1.204685
-1.200792
-1.423629
-1.199579
-2.267730
4f-0.525040-0.523957
-0.523063
-0.401425
-0.352846
-1.263220
6s-0.322487-0.333456
-0.304908
-0.350146-0.350156

 

Created October 15, 2015, Updated August 15, 2025
Was this page helpful?