| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^1\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 5740.16915063200 | 5740.16915063200 |
| TsKS | 5740.16881522027 | 5740.16881522027 |
| TF | 5435.88470995890 | 5435.87111693287 |
| W | 2403.02217975543 | 2403.00378040967 |
| GEA2 | 5702.88717437617 | 5702.87153697839 |
| GEA4 | 5747.20906155566 | 5747.19110308877 |
| TFW | 7838.90688971433 | 7838.87489734253 |
| TF5W | 5916.48914590998 | 5916.47187301480 |
| P82 | 5688.62574451191 | 5688.61446763865 |
| DK87 | 5736.60161770353 | 5736.59074412597 |
| LLP | 5746.50581127530 | 5746.49225688232 |
| OL1 | 5742.06505146168 | 5742.04938196678 |
| OL2 | 5741.41073768039 | 5741.39500780625 |
| P92 | 5703.40519314290 | 5703.38955167025 |
| T92 | 5709.38710079968 | 5709.37382741058 |
| LC94 | 5745.69788426355 | 5745.68406407526 |
| LP97 | 6179.89463303201 | 6179.87917952755 |
| VJKS00 | 5699.36989166497 | 5699.36455534941 |
| E00 | 5719.04977272335 | 5719.02924033534 |
| TW02 | 5741.77905799587 | 5741.76606410245 |
| PBE2 | 8099.04334638389 | 8099.03551319456 |
| PBE4 | 6330.14800371587 | 6330.17039012885 |
| MGGA | 5756.57848434936 | 5756.56216429101 |
| GDS08 | 2473.08437547685 | 2473.02161212453 |
| RDA | 5373.39080203563 | 5373.36972404863 |
| APBEK | 5748.86791235078 | 5748.85500524555 |
| revAPBEK | 5759.22926816961 | 5759.21591740504 |
| VT84F | 7535.13000493455 | 7535.09765622264 |
| L04 | 5742.27049924029 | 5742.25450855629 |
| L06 | 5741.95831660161 | 5741.94197356163 |
| revMGGA | 5980.34862077501 | 5980.33298316040 |
| revMGGAloc | 5642.96859831391 | 5642.95804013732 |
| TFLreg | 5681.15694448305 | 5681.14335145603 |
| LGAPGE | 5759.81698520088 | 5759.79981501495 |
| LGAP | 5747.31748139940 | 5747.30377948899 |
| MVT84F | 4962.07162872542 | 4962.04509608433 |
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.