| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^5\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 6917.98089826700 | 6917.98089826700 |
| TsKS | 6917.98053517087 | 6917.98053517087 |
| TF | 6558.48395917023 | 6558.46026204391 |
| W | 2822.35299039527 | 2822.33847897289 |
| GEA2 | 6872.07873588081 | 6872.05342637423 |
| GEA4 | 6923.89706393352 | 6923.87161029672 |
| TFW | 9380.83694956550 | 9380.79874101680 |
| TF5W | 7122.95455724929 | 7122.92795783849 |
| P82 | 6856.31901709107 | 6856.29846060175 |
| DK87 | 6911.72602840188 | 6911.70363494962 |
| LLP | 6924.49427014954 | 6924.47009348851 |
| OL1 | 6918.68300976517 | 6918.65766026584 |
| OL2 | 6918.49950661086 | 6918.47404981112 |
| P92 | 6872.68652823908 | 6872.66121555383 |
| T92 | 6877.73863407536 | 6877.71477259810 |
| LC94 | 6923.34270966983 | 6923.31829399763 |
| LP97 | 7456.14412054171 | 7456.11717998804 |
| VJKS00 | 6869.97138264277 | 6869.94978373034 |
| E00 | 6890.65257595193 | 6890.62624486540 |
| TW02 | 6918.43271185503 | 6918.40841699675 |
| PBE2 | 9692.61968140330 | 9692.59132323657 |
| PBE4 | 7538.48727388518 | 7538.51537114977 |
| MGGA | 6935.37444808074 | 6935.34898328543 |
| GDS08 | 2899.09578209599 | 2899.06705574394 |
| RDA | 6433.31671932924 | 6433.35133005108 |
| APBEK | 6926.82449677659 | 6926.80026128097 |
| revAPBEK | 6938.76582685113 | 6938.74118206748 |
| VT84F | 9010.73753365514 | 9010.71772383703 |
| L04 | 6917.99773180677 | 6917.97158441494 |
| L06 | 6917.71379252956 | 6917.68806786401 |
| revMGGA | 7195.91466150830 | 7195.88935028464 |
| revMGGAloc | 6796.77787655513 | 6796.75656559871 |
| TFLreg | 6845.17542589020 | 6845.15172875163 |
| LGAPGE | 6939.18189308577 | 6939.15600335696 |
| LGAP | 6924.83733878550 | 6924.81231962204 |
| MVT84F | 5940.97657089269 | 5940.97870057655 |
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.