| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 6s^2 5d^{1} 4f^{7}\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 10820.6610501780 | 10820.6610501780 |
| TsKS | 10820.6608200244 | 10820.6608200244 |
| TF | 10281.9703146289 | 10274.1171362704 |
| W | 4146.16854044980 | 4144.89130328060 |
| GEA2 | 10742.6557080122 | 10734.6606144127 |
| GEA4 | 10817.7590408957 | 10809.7127446187 |
| TFW | 14428.1388550787 | 14419.0084395510 |
| TF5W | 11111.2040227188 | 11103.0953969265 |
| P82 | 10722.1622078375 | 10714.3722721425 |
| DK87 | 10800.4606527241 | 10792.5408763962 |
| LLP | 10823.5880385601 | 10815.6777546009 |
| OL1 | 10813.2146957522 | 10805.2101884833 |
| OL2 | 10815.1869964422 | 10807.1469032197 |
| P92 | 10743.5463095788 | 10735.5509480757 |
| T92 | 10743.1284333554 | 10735.3363152852 |
| LC94 | 10821.2258337302 | 10813.2973927866 |
| LP97 | 11689.2643156977 | 11680.3362722643 |
| VJKS00 | 10746.1145596781 | 10738.3669958838 |
| E00 | 10768.5918526567 | 10760.5324245001 |
| TW02 | 10812.9223746197 | 10804.9894312648 |
| PBE2 | 14906.2609082860 | 14897.7542015484 |
| PBE4 | 11458.6491729075 | 11453.3110456325 |
| MGGA | 10835.9090455789 | 10827.8601374014 |
| GDS08 | 4243.82571088486 | 4242.35796029339 |
| RDA | 9889.77279611977 | 9889.98212780032 |
| APBEK | 10825.4630431003 | 10817.5337754543 |
| revAPBEK | 10842.2708593964 | 10834.3105203713 |
| VT84F | 13833.8150344575 | 13825.4149723527 |
| L04 | 10808.9309883366 | 10800.8630772009 |
| L06 | 10808.7100054284 | 10800.6569325437 |
| revMGGA | 11212.5027965584 | 11204.5064510909 |
| revMGGAloc | 10617.9437260035 | 10610.2986204894 |
| TFLreg | 10698.5273739996 | 10690.6725215184 |
| LGAPGE | 10842.1494614687 | 10834.1054106703 |
| LGAP | 10822.1641652260 | 10814.1736575055 |
| MVT84F | 9264.32731898761 | 9252.31207981621 |
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.