Key to notation
4 Be [He] 2s^2
LDA LSD RLDA ScRLDA
Etot = -14.447209 -14.447209 -14.447997 -14.447997
Ekin = 14.309424 14.309424 14.311787 14.311376
Ecoul = 7.115257 7.115257 7.115741 7.115647
Eenuc = -33.357034 -33.357034 -33.362526 -33.362056
Exc = -2.514856 -2.514856 -2.512998 -2.512964
1s -3.856411 -3.856411 -3.855566 -3.855605
-3.856411
2s -0.205744 -0.205744 -0.205751 -0.205753
-0.205744
4 Be+ [He] 2s^1
LDA LSD RLDA ScRLDA
Etot = -14.097687 -14.115512 -14.098457 -14.098457
Ekin = 13.979390 14.003160 13.981701 13.981340
Ecoul = 5.765522 5.782640 5.765907 5.765831
Eenuc = -31.548250 -31.585064 -31.553552 -31.553144
Exc = -2.294349 -2.316248 -2.292513 -2.292484
1s -4.278170 -4.280148 -4.277374 -4.277406
-4.261874
2s -0.501175 -0.525482 -0.501206 -0.501209
-0.442550
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