| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 6s^1\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 7553.93353979300 | 7553.93353979300 |
| TsKS | 7553.93320181368 | 7553.93320181368 |
| TF | 7164.45870110061 | 7164.45158392487 |
| W | 3045.10225872026 | 3045.07380891067 |
| GEA2 | 7502.80339651398 | 7502.79311824828 |
| GEA4 | 7558.58925915503 | 7558.56868551665 |
| TFW | 10209.5609598208 | 10209.5253928355 |
| TF5W | 7773.47915284466 | 7773.46634570700 |
| P82 | 7486.24960897428 | 7486.24102083604 |
| DK87 | 7545.55171778245 | 7545.51277683086 |
| LLP | 7559.94129770514 | 7559.93442268363 |
| OL1 | 7553.38245557230 | 7553.37215352104 |
| OL2 | 7553.48355370550 | 7553.47322503386 |
| P92 | 7503.45884311883 | 7503.44855850150 |
| T92 | 7507.88957080236 | 7507.88290304556 |
| LC94 | 7558.59896097994 | 7558.59195544712 |
| LP97 | 8145.05866807575 | 8145.05057677166 |
| VJKS00 | 7501.52311118105 | 7501.53675231196 |
| E00 | 7522.63904167468 | 7522.61106412839 |
| TW02 | 7553.14569927957 | 7553.13974774662 |
| PBE2 | 10549.0048821588 | 10549.0076174730 |
| PBE4 | 8185.82574306880 | 8185.80795051401 |
| MGGA | 7571.30693904592 | 7571.29663799506 |
| GDS08 | 3124.57386233651 | 3124.42772080590 |
| RDA | 7003.40311371224 | 7003.37432959807 |
| APBEK | 7562.23202711309 | 7562.22606239577 |
| revAPBEK | 7575.00443041120 | 7574.99864148341 |
| VT84F | 9803.38999465172 | 9803.34897557275 |
| L04 | 7552.19380658288 | 7552.19062375459 |
| L06 | 7551.92284036911 | 7551.92087888724 |
| revMGGA | 7851.12019754215 | 7851.11113044987 |
| revMGGAloc | 7419.00685878416 | 7419.00533832279 |
| TFLreg | 7472.42074059226 | 7472.41549475960 |
| LGAPGE | 7575.32491628768 | 7575.31036745324 |
| LGAP | 7560.01368499347 | 7560.00876270085 |
| MVT84F | 6513.94420736375 | 6513.90160020370 |
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.