| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10}\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 5465.13312830100 | 5465.13312830100 |
| TsKS | 5465.13288520330 | 5465.13288520330 |
| TF | 5173.71531753588 | 5173.71531753588 |
| W | 2303.49163024278 | 2303.49163024278 |
| GEA2 | 5429.65883200730 | 5429.65883200730 |
| GEA4 | 5472.19854340545 | 5472.19854340545 |
| TFW | 7477.20694777866 | 7477.20694777866 |
| TF5W | 5634.41364358444 | 5634.41364358444 |
| P82 | 5415.78402590646 | 5415.78402590646 |
| DK87 | 5461.96965425253 | 5461.96965425253 |
| LLP | 5471.21989360520 | 5471.21989360520 |
| OL1 | 5467.08861783901 | 5467.08861783901 |
| OL2 | 5466.33681165281 | 5466.33681165281 |
| P92 | 5430.15552731908 | 5430.15552731908 |
| T92 | 5436.31124943929 | 5436.31124943929 |
| LC94 | 5470.48818778168 | 5470.48818778168 |
| LP97 | 5881.84209740483 | 5881.84209740483 |
| VJKS00 | 5425.85809911044 | 5425.85809911044 |
| E00 | 5445.23986097181 | 5445.23986097181 |
| TW02 | 5466.79695590942 | 5466.79695590942 |
| PBE2 | 7725.24637694903 | 7725.24637694903 |
| PBE4 | 6046.06009637114 | 6046.06009637114 |
| MGGA | 5481.06002221770 | 5481.06002221770 |
| GDS08 | 2372.08023101073 | 2372.08023101073 |
| RDA | 5125.25478232864 | 5125.25478232864 |
| APBEK | 5473.57829810636 | 5473.57829810636 |
| revAPBEK | 5483.55853659525 | 5483.55853659525 |
| VT84F | 7188.89340372513 | 7188.89340372513 |
| L04 | 5467.48310609882 | 5467.48310609882 |
| L06 | 5467.16724104994 | 5467.16724104994 |
| revMGGA | 5696.07265599904 | 5696.07265599904 |
| revMGGAloc | 5373.27503434495 | 5373.27503434495 |
| TFLreg | 5409.19452333473 | 5409.19452333473 |
| LGAPGE | 5484.17984327837 | 5484.17984327837 |
| LGAP | 5472.12618985226 | 5472.12618985226 |
| MVT84F | 4728.19517272248 | 4728.19517272248 |
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.