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
Nitrogen; N  [He] 2s2 2p3
LDA LSD RLDA ScRLDA
Etot -54.025016 -54.136799 -54.043484 -54.043482
Ekin 53.731727 53.861177 53.787205 53.782518
Ecoul 25.799845 26.005085 25.808674 25.807921
Eenuc -127.416229 -127.717840 -127.509302 -127.504081
Exc -6.140359 -6.285222 -6.130060 -6.129840
1s -14.011501 -13.995697 -14.010000 -14.010307
-13.930559
2s -0.676151 -0.720760 -0.676677 -0.676692
-0.561354
2p -0.266297 -0.308848 -0.266623 -0.266162
-0.160705 -0.265913
Nitrogen; 7  [He] 2s2 2p2
LDA LSD RLDA ScRLDA
Etot -53.520082 -53.585407 -53.538713 -53.538712
Ekin 53.255692 53.331119 53.311661 53.306802
Ecoul 22.181541 22.264481 22.190512 22.189690
Eenuc -123.202205 -123.346206 -123.296050 -123.290604
Exc -5.755110 -5.834802 -5.744837 -5.744600
1s -14.634672 -14.638586 -14.633058 -14.633384
-14.584171
2s -1.184338 -1.231480 -1.184926 -1.184950
-1.100563
2p -0.765380 -0.813149 -0.765805 -0.765234
-0.681345 -0.764914