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Atomic Reference Data for Electronic Structure Calculations, Tellurium
Tellurium (Key to notation)
52 Te [Kr] 4d10 5s2 5p4
| Energy | 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 -1115.827463 | -1154.719568 | -1155.589771 |
| 2s | -167.021776 | -167.019020 -167.017967 | -177.265633 | -177.451470 |
| 2p | -156.808583 | -156.806104 -156.804479 | -166.313852 -156.322525 | -159.564664 |
| 3s | -33.137485 | -33.135221 -33.133343 | -35.276638 | -35.312307 |
| 3p | -28.860685 | -28.858495 -28.856460 | -30.734496 -28.871440 | -29.472693 |
| 3d | -20.887801 | -20.885524 -20.883644 | -20.791601 -20.400030 | -20.581119 |
| 4s | -5.572846 | -5.571931 -5.567736 | -6.002848 | -6.008535 |
| 4p | -4.100084 | -4.099435 -4.094726 | -4.435181 -4.077371 | -4.190569 |
| 4d | -1.608381 | -1.609236 -1.601507 | -1.565553 -1.511413 | -1.534776 |
| 5s | -0.520997 | -0.537261 -0.497620 | -0.562265 | -0.562882 |
| 5p | -0.226594 | -0.242490 -0.204128 | -0.245317 -0.215315 | -0.224596 |
52 Te+ [Kr] 4d10 5s2 5p3
| Energy | 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 -1116.158271 | -1155.057327 | -1155.927374 |
| 2s | -167.355624 | -167.349334 -167.347523 | -177.601632 | -177.787351 |
| 2p | -157.142676 | -157.136857 -157.134056 | -166.650156 -156.658746 | -159.900787 |
| 3s | -33.470642 | -33.465290 -33.462054 | -35.611960 | -35.647526 |
| 3p | -29.193887 | -29.188661 -29.185154 | -31.069869 -29.206776 | -29.807937 |
| 3d | -21.221013 | -21.215622 -21.212385 | -21.126932 -20.735350 | -20.916341 |
| 4s | -5.904478 | -5.901684 -5.894442 | -6.336773 | -6.342364 |
| 4p | -4.431536 | -4.429218 -4.421064 | -4.768964 -4.411040 | -4.524181 |
| 4d | -1.938790 | -1.939067 -1.925631 | -1.898153 -1.843905 | -1.867229 |
| 5s | -0.823975 | -0.849795 -0.780271 | -0.869822 | -0.870477 |
| 5p | -0.510617 | -0.536426 -0.467146 | -0.534470 -0.499430 | -0.510397 |
Created October 15, 2015, Updated September 3, 2024