Skip to main content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Atomic Reference Data for Electronic Structure Calculations, Bismuth

Bismuth

Key to notation
83 Bi [Xe] 4f14 5d10 6s2 6p3
EnergyLDALSDRLDAScRLDA
Etot =-20090.414449-20090.453943-21523.568903-21473.928782
Ekin =20083.99952220084.04930225072.41118324271.188070
Ecoul =7989.9994587990.6176978285.3705148250.008963
Eenuc =-47803.484105-47804.141155-54541.343838-53656.421789
Exc =-360.929324-360.979787-340.006762-338.704027
1s-2975.550959-2975.543735
-2975.542382
-3302.086274-3308.767700
2s-502.950758-502.943206
-502.942647
-593.426961-595.093629
2p-484.716359-484.708988
-484.708043
-570.461192
-486.404040
-509.853412
3s-120.613998-120.606635
-120.605837
-143.308860-143.733840
3p-111.883393-111.876088
-111.875166
-132.886196
-114.043678
-119.340536
3d-95.532476-95.525117
-95.524284
-96.921082
-92.902698
-94.780745
4s-27.070340-27.063374
-27.061927
-32.859470-32.963243
4p-23.218641-23.211718
-23.210188
-28.318752
-23.663146
-24.955275
4d-16.084817-16.077931
-16.076332
-16.257998
-15.384422
-15.782515
4f-6.382744-6.375924
-6.374212
-5.728200
-5.526535
-5.638061
5s-4.611934-4.606612
-4.602514
-5.758438-5.780180
5p-3.293637-3.288694
-3.283907
-4.176012
-3.270574
-3.517451
5d-1.139408-1.137372
-1.126794
-1.063136
-0.952668
-1.001713
6s-0.426129-0.443921
-0.391121
-0.536882-0.539987
6p-0.180198-0.198520
-0.145543
-0.228107
-0.156444
-0.175191
83 Bi+ [Xe] 4f14 5d10 6s2 6p2
EnergyLDALSDRLDAScRLDA
Etot =-20090.112070-20090.133387-21523.264151-21473.629506
Ekin =20083.71784820083.74472825072.11057924270.914141
Ecoul =7965.6976197965.9368788260.4954058225.231983
Eenuc =-47778.832411-47779.093930-54516.099651-53631.306294
Exc =-360.695126-360.721063-339.770485-338.469336
1s-2975.848322-2975.845728
-2975.844648
-3302.390801-3309.070755
2s-503.247222-503.244341
-503.243893
-593.730268-595.395659
2p-485.012951-485.010219
-485.009462
-570.764739
-486.707425
-510.155556
3s-120.910218-120.907473
-120.906835
-143.611889-144.035631
3p-112.179641-112.176943
-112.176205
-133.189263
-114.346713
-119.642341
3d-95.828713-95.825974
-95.825306
-97.224078
-93.205686
-95.082503
4s-27.366348-27.363906
-27.362748
-33.162333-33.264876
4p-23.514648-23.512239
-23.511015
-28.621619-25.256891
4d-16.380804-16.378424
-16.377146
-16.560808
-15.687222
-16.084093
4f-6.678701-6.676372
-6.675003
-6.030968
-5.829296
-5.939600
5s-4.907088-4.905900
-4.902616
-6.060710-6.081233
5p-3.588638-3.587748
-3.583905
-4.478231
-3.572664
-3.818372
5d-1.433137-1.434526
-1.426094
-1.363866
-1.253006
-1.301118
6s-0.695853-0.712523
-0.671020
-0.819687-0.822364
6p-0.430506-0.447749
-0.404726
-0.493083
-0.407248
-0.430169

 

Created October 15, 2015, Updated April 21, 2017