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
Silicon; Si  [Ne] 3s2 3p2
LDA LSD RLDA ScRLDA
Etot -288.198397 -288.222945 -288.696925 -288.696551
Ekin 287.487740 287.518355 288.990326 288.863348
Ecoul 131.767814 131.881748 131.982541 131.967556
Eenuc -687.900675 -688.036467 -690.205114 -690.065800
Exc -19.553276 -19.586581 -19.464678 -19.461655
1s -65.184426 -65.177684 -65.257513 -65.262441
-65.171496
2s -5.075056 -5.069762 -5.093273 -5.093723
-5.062356
2p -3.514938 -3.510510 -3.528149 -3.512816
-3.501187 -3.504432
3s -0.398139 -0.416774 -0.399512 -0.399527
-0.361598
3p -0.153293 -0.170217 -0.153803 -0.153009
-0.120916 -0.152602
Silicon; Si+  [Ne] 3s2 3p1
LDA LSD RLDA ScRLDA
Etot -287.910519 -287.918773 -288.409393 -288.409021
Ekin 287.220374 287.230682 288.723990 288.596667
Ecoul 127.166986 127.192893 127.382490 127.367361
Eenuc -682.979176 -683.013304 -685.285647 -685.145858
Exc -19.318703 -19.329045 -19.230226 -19.227190
1s -65.540902 -65.540452 -65.613849 -65.618796
-65.536489
2s -5.424457 -5.424683 -5.442609 -5.443069
-5.419930
2p -3.864970 -3.865781 -3.878128 -3.862780
-3.859795 -3.854374
3s -0.700199 -0.715210 -0.701700 -0.701727
-0.679848
3p -0.432114 -0.446190 -0.432772 -0.431746
-0.412941 -0.431206