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Atomic Reference Data
for Electronic Structure Calculations


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14   Si   [Ne] 3s2 3p2

Energy   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
-65.171496
-65.257513 -65.262441
2s -5.075056 -5.069762
-5.062356
-5.093273 -5.093723
2p -3.514938 -3.510510
-3.501187
-3.528149
-3.504432
-3.512816
3s -0.398139 -0.416774
-0.361598
-0.399512 -0.399527
3p -0.153293 -0.170217
-0.120916
-0.153803
-0.152602
-0.153009



14   Si+   [Ne] 3s2 3p1

Energy   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
-65.536489
-65.613849 -65.618796
2s -5.424457 -5.424683
-5.419930
-5.442609 -5.443069
2p -3.864970 -3.865781
-3.859795
-3.878128
-3.854374
-3.862780
3s -0.700199 -0.715210
-0.679848
-0.701700 -0.701727
3p -0.432114 -0.446190
-0.412941
-0.432772
-0.431206
-0.431746

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