Properties | More Info | Isotopes | Spectra
Compounds | Reactions | Production
Atomic: M.A.C. | Reference
Diagrams: Shell | Atomic Radius | Electron || Images
Atomic Reference Data for Electronic Structure Calculations
Carbon; C  [He] 2s2 2p2
LDA LSD RLDA ScRLDA
Etot -37.425749 -37.470031 -37.434171 -37.434170
Ekin 37.190391 37.242662 37.215681 37.213317
Ecoul 17.627997 17.722784 17.632308 17.631889
Eenuc -87.515412 -87.646436 -87.559852 -87.557199
Exc -4.728724 -4.789041 -4.722308 -4.722177
1s -9.947718 -9.940546 -9.945976 -9.946149
-9.905802
2s -0.500866 -0.531276 -0.501081 -0.501090
-0.435066
2p -0.199186 -0.227557 -0.199322 -0.199111
-0.139285 -0.198996
Carbon; C+  [He] 2s2 2p1
LDA LSD RLDA ScRLDA
Etot -37.021849 -37.037413 -37.030361 -37.030361
Ekin 36.812417 36.830755 36.837978 36.835503
Ecoul 14.910519 14.932095 14.914881 14.914418
Eenuc -84.338374 -84.374377 -84.383235 -84.380441
Exc -4.406410 -4.425885 -4.399984 -4.399841
1s -10.499920 -10.504710 -10.498106 -10.498293
-10.481542
2s -0.940540 -0.966338 -0.940794 -0.940809
-0.903837
2p -0.629402 -0.655300 -0.629601 -0.629324
-0.592747 -0.629165