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, Arsenic

Arsenic (Key to notation)

33 As [Ar] 3d10 4s2 4p3

EnergyLDALSDRLDAScRLDA
Etot =-2232.534978-2232.587154-2255.727328-2255.607224
Ekin =2230.4345452230.4988862301.5153322293.982566
Ecoul =960.716547961.107904967.480227966.934286
Eenuc =-5344.042750-5344.483402-5446.352337-5438.224764
Exc =-79.643321-79.710543-78.370550-78.299312
1s-423.336658-423.325636
-423.320985
-428.380950-428.520694
2s-53.093086-53.081392
-53.078839
-54.393306-54.416838
2p-47.527869-47.516835
-47.512845
-48.691835
-47.357671
-47.814343
3s-6.730755-6.721389
-6.715386
-6.944655-6.947157
3p-4.851725-4.842850
-4.835858
-5.020028
-4.835819
-4.897332
3d-1.542767-1.535750
-1.524956
-1.520434
-1.493623
-1.504886
4s-0.523670-0.547213
-0.472809
-0.539069-0.539201
4p-0.197497-0.220331
-0.150320
-0.203336
-0.192988
-0.196356

33 As+ [Ar] 3d10 4s2 4p2

EnergyLDALSDRLDAScRLDA
Etot =-2232.191477-2232.220332-2255.384680-2255.264694
Ekin =2230.1135942230.1491542301.1968442293.663617
Ecoul =949.156013949.311225955.896639955.350526
Eenuc =-5332.082748-5332.267119-5434.372405-5426.244312
Exc =-79.378336-79.413591-78.105758-78.034525
1s-423.700484-423.696818
-423.693060
-428.745408-428.885147
2s-53.453825-53.449498
-53.447425
-54.754681-54.778213
2p-47.889055-47.885279
-47.882046
-49.053697
-47.719476
-48.176163
3s-7.090462-7.087911
-7.083040
-7.305043-7.307551
3p-5.211371-5.209220
-5.203543
-5.380372
-5.196132
-5.257662
3d-1.901607-1.900935
-1.892207
-1.879930
-1.853082
-1.864368
4s-0.848903-0.872030
-0.812507
-0.866163-0.866326
4p-0.498152-0.520825
-0.462501
-0.506070
-0.493406
-0.497571

 

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