| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^1 4d^{7}\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 4441.53947316500 | 4441.53947316500 |
| TsKS | 4441.53944673619 | 4441.53944673619 |
| TF | 4197.85944859577 | 4197.38390618235 |
| W | 1927.52036243015 | 1927.36522497017 |
| GEA2 | 4412.02837775467 | 4411.53559784571 |
| GEA4 | 4447.82542804944 | 4447.32627749373 |
| TFW | 6125.37981102592 | 6124.74913115253 |
| TF5W | 4583.36352108180 | 4582.85695117639 |
| P82 | 4399.69506761349 | 4399.22617411567 |
| DK87 | 4439.06943787497 | 4438.58518462211 |
| LLP | 4445.89158353425 | 4445.41071054848 |
| OL1 | 4442.89852104660 | 4442.40500863332 |
| OL2 | 4441.83043076217 | 4441.33494486418 |
| P92 | 4412.44447568633 | 4411.95166205519 |
| T92 | 4419.06866317979 | 4418.59443186819 |
| LC94 | 4445.43411633919 | 4444.95147003601 |
| LP97 | 4772.42076695843 | 4771.88013702141 |
| VJKS00 | 4407.25907711313 | 4406.82106185977 |
| E00 | 4425.40399278227 | 4424.88763903139 |
| TW02 | 4442.57898961753 | 4442.09952420219 |
| PBE2 | 6328.07252285622 | 6327.56635329302 |
| PBE4 | 4982.23174021672 | 4981.85171399765 |
| MGGA | 4454.92063675968 | 4454.42366472163 |
| GDS08 | 1988.73975249990 | 1988.40341703543 |
| RDA | 4197.34833479833 | 4197.04375254477 |
| APBEK | 4448.20297759335 | 4447.72389536380 |
| revAPBEK | 4456.72815839134 | 4456.24611755795 |
| VT84F | 5894.60567194330 | 5893.99218311396 |
| L04 | 4443.92254208327 | 4443.43647392255 |
| L06 | 4443.61238087651 | 4443.11981165075 |
| revMGGA | 4636.43893960151 | 4635.94616061168 |
| revMGGAloc | 4368.40156761392 | 4367.95162447790 |
| TFLreg | 4396.32829934848 | 4395.85275817930 |
| LGAPGE | 4457.47410632081 | 4456.97264799065 |
| LGAP | 4447.11415422840 | 4446.63037094073 |
| MVT84F | 3854.50826296587 | 3853.96090045820 |
Disclaimer:
To the best of our knowledge, the information contained herein is accurate and reliable as of the date of publication; however, we do not assume any liability whatsoever for the accuracy and completeness of the above information.