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Atomic Reference Data
for Electronic Structure Calculations |
Tellurium
Key to notation | HTML table
52 Te [Kr] 4d10 5s2 5p4
LDA LSD RLDA ScRLDA
Etot = -6608.631413 -6608.650476 -6781.608647 -6779.321924
Ekin = 6605.034216 6605.057603 7151.508845 7083.078236
Ecoul = 2653.969369 2654.124594 2699.126623 2695.034410
Eenuc = -15702.061477 -15702.235542 -16471.660084 -16397.198253
Exc = -165.573522 -165.597130 -160.584032 -160.236317
1s -1115.831819 -1115.829490 -1154.719568 -1155.589771
-1115.827463
2s -167.021776 -167.019020 -177.265633 -177.451470
-167.017967
2p -156.808583 -156.806104 -166.313852 -159.564664
-156.804479 -156.322525
3s -33.137485 -33.135221 -35.276638 -35.312307
-33.133343
3p -28.860685 -28.858495 -30.734496 -29.472693
-28.856460 -28.871440
3d -20.887801 -20.885524 -20.791601 -20.581119
-20.883644 -20.400030
4s -5.572846 -5.571931 -6.002848 -6.008535
-5.567736
4p -4.100084 -4.099435 -4.435181 -4.190569
-4.094726 -4.077371
4d -1.608381 -1.609236 -1.565553 -1.534776
-1.601507 -1.511413
5s -0.520997 -0.537261 -0.562265 -0.562882
-0.497620
5p -0.226594 -0.242490 -0.245317 -0.224596
-0.204128 -0.215315
52 Te+ [Kr] 4d10 5s2 5p3
LDA LSD RLDA ScRLDA
Etot = -6608.265960 -6608.317272 -6781.243695 -6778.957775
Ekin = 6604.691713 6604.755012 7151.166797 7082.738639
Ecoul = 2636.992664 2637.322775 2682.035257 2677.947812
Eenuc = -15684.648108 -15685.031482 -16454.133326 -16379.679413
Exc = -165.302229 -165.363577 -160.312423 -159.964813
1s -1116.167353 -1116.161767 -1155.057327 -1155.927374
-1116.158271
2s -167.355624 -167.349334 -177.601632 -177.787351
-167.347523
2p -157.142676 -157.136857 -166.650156 -159.900787
-157.134056 -156.658746
3s -33.470642 -33.465290 -35.611960 -35.647526
-33.462054
3p -29.193887 -29.188661 -31.069869 -29.807937
-29.185154 -29.206776
3d -21.221013 -21.215622 -21.126932 -20.916341
-21.212385 -20.735350
4s -5.904478 -5.901684 -6.336773 -6.342364
-5.894442
4p -4.431536 -4.429218 -4.768964 -4.524181
-4.421064 -4.411040
4d -1.938790 -1.939067 -1.898153 -1.867229
-1.925631 -1.843905
5s -0.823975 -0.849795 -0.869822 -0.870477
-0.780271
5p -0.510617 -0.536426 -0.534470 -0.510397
-0.467146 -0.499430