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, Phosphorus

Phosphorus

Key to notation
15 P [Ne] 3s2 3p3
EnergyLDALSDRLDAScRLDA
Etot =-339.946219-340.005794-340.631017-340.630409
Ekin =339.173459339.246155341.238665341.060680
Ecoul =153.065007153.286547153.353051153.332668
Eenuc =-810.400100-810.676999-813.547950-813.352953
Exc =-21.784585-21.861498-21.674782-21.670803
1s-76.061897-76.049445
-76.036841
-76.168836-76.175367
2s-6.329346-6.319803
-6.305228
-6.355619-6.356265
2p-4.576617-4.568637
-4.550456
-4.596234
-4.562655
-4.574534
3s-0.512364-0.540297
-0.450172
-0.514673-0.514697
3p-0.206080-0.231378
-0.151493
-0.207076
-0.205049
-0.205734
15 P+ [Ne] 3s2 3p2
EnergyLDALSDRLDAScRLDA
Etot =-339.585047-339.618451-340.270245-340.269641
Ekin =338.835505338.876225340.901903340.723532
Ecoul =147.574740147.665462147.863272147.842694
Eenuc =-804.489493-804.613529-807.639291-807.443732
Exc =-21.505799-21.546608-21.396130-21.392135
1s-76.460671-76.457443
-76.447265
-76.567487-76.574038
2s-6.719843-6.718504
-6.706710
-6.746077-6.746736
2p-4.967971-4.967950
-4.953243
-4.987561
-4.953937
-4.965844
3s-0.854072-0.881805
-0.808897
-0.856573-0.856612
3p-0.526030-0.551789
-0.484216
-0.527262
-0.524774
-0.525629

 

Created October 15, 2015, Updated April 14, 2017