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, Polonium

Polonium (Key to notation)

84 Po [Xe] 4f14 5d10 6s2 6p4

EnergyLDALSDRLDAScRLDA
Etot =-20671.256539-20671.273855-22187.563959-22133.678779
Ekin =20664.75611020664.77750525967.14631425108.089737
Ecoul =8200.9701428201.1871988513.4249528475.713236
Eenuc =-49169.103742-49169.338082-56321.951182-55372.632927
Exc =-367.879049-367.900477-346.184043-344.848825
1s-3050.988417-3050.986187
-3050.985077
-3396.461191-3403.541382
2s-517.275843-517.273342
-517.272837
-613.108455-614.883273
2p-498.771920-498.769565
-498.768755
-589.624047
-500.624784
-525.295428
3s-124.783683-124.781300
-124.780622
-148.867460-149.324361
3p-115.898384-115.896049
-115.895271
-138.203148
-118.183514
-123.780039
3d-99.256068-99.253696
-99.252982
-100.732005
-96.479462
-98.470041
4s-28.422540-28.420459
-28.419244
-34.587486-34.701600
4p-24.481337-24.479291
-24.478008
-29.921276
-24.942214
-26.318458
4d-17.173307-17.171289
-17.169952
-17.347952
-16.413934
-16.842077
4f-7.206499-7.204524
-7.203109
-6.489033
-6.269504
-6.393611
5s-5.027447-5.026610
-5.023183
-6.270680-6.296310
5p-3.655382-3.654801
-3.650884
-4.619932
-3.623753
-3.895750
5d-1.386458-1.387693
-1.380139
-1.296859
-1.170132
-1.227885
6s-0.493528-0.508059
-0.472876
-0.625086-0.629214
6p-0.217889-0.232423
-0.197575
-0.279952
-0.189910
-0.213472

84 Po+ [Xe] 4f14 5d10 6s2 6p3

EnergyLDALSDRLDAScRLDA
Etot =-20670.907996-20670.954321-22187.211055-22133.332529
Ekin =20664.42985720664.48744025966.79168825107.769598
Ecoul =8175.1215608175.5784908486.9842488449.357913
Eenuc =-49142.840153-49143.345608-56295.064926-55345.871965
Exc =-367.619259-367.674642-345.922066-344.588076
1s-3051.301411-3051.296377
-3051.294463
-3396.781593-3403.860403
2s-517.587889-517.582402
-517.581533
-613.427554-615.201227
2p-499.084104-499.078867
-499.077470
-589.943400
-500.943959
-525.613500
3s-125.095415-125.090167
-125.089000
-149.186192-149.641997
3p-116.210147-116.204981
-116.203640
-138.521926
-118.502248
-124.097689
3d-99.567832-99.562596
-99.561365
-101.050714
-96.798160
-98.787653
4s-28.733975-28.729288
-28.727193
-34.905970-35.019002
4p-24.792770-24.788142
-24.785932
-30.239763
-25.260656
-26.635833
4d-17.484720-17.480141
-17.477837
-17.666367
-16.732332
-17.159405
4f-7.517879-7.513377
-7.510940
-6.807393
-6.587855
-6.710892
5s-5.337699-5.335318
-5.329403
-6.588281-6.612854
5p-3.965426-3.963512
-3.956726
-4.937424
-3.941008
-4.212037
5d-1.695216-1.696428
-1.683298
-1.612695
-1.485582
-1.542578
6s-0.778476-0.801588
-0.740190
-0.923044-0.926999
6p-0.484801-0.508375
-0.445886
-0.561694
-0.457420
-0.485472

 

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