Key to notation
15 P [Ne] 3s^2 3p^3
LDA LSD RLDA ScRLDA
Etot = -339.946219 -340.005794 -340.631017 -340.630409
Ekin = 339.173459 339.246155 341.238665 341.060680
Ecoul = 153.065007 153.286547 153.353051 153.332668
Eenuc = -810.400100 -810.676999 -813.547950 -813.352953
Exc = -21.784585 -21.861498 -21.674782 -21.670803
1s -76.061897 -76.049445 -76.168836 -76.175367
-76.036841
2s -6.329346 -6.319803 -6.355619 -6.356265
-6.305228
2p -4.576617 -4.568637 -4.596234 -4.574534
-4.550456 -4.562655
3s -0.512364 -0.540297 -0.514673 -0.514697
-0.450172
3p -0.206080 -0.231378 -0.207076 -0.205734
-0.151493 -0.205049
15 P+ [Ne] 3s^2 3p^2
LDA LSD RLDA ScRLDA
Etot = -339.585047 -339.618451 -340.270245 -340.269641
Ekin = 338.835505 338.876225 340.901903 340.723532
Ecoul = 147.574740 147.665462 147.863272 147.842694
Eenuc = -804.489493 -804.613529 -807.639291 -807.443732
Exc = -21.505799 -21.546608 -21.396130 -21.392135
1s -76.460671 -76.457443 -76.567487 -76.574038
-76.447265
2s -6.719843 -6.718504 -6.746077 -6.746736
-6.706710
2p -4.967971 -4.967950 -4.987561 -4.965844
-4.953243 -4.953937
3s -0.854072 -0.881805 -0.856573 -0.856612
-0.808897
3p -0.526030 -0.551789 -0.527262 -0.525629
-0.484216 -0.524774
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