| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 6s^2 4f^{14}\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 13391.4560044610 | 13391.4560044610 |
| TsKS | 13391.4554617461 | 13391.4554617461 |
| TF | 12738.4353741098 | 12738.4353741098 |
| W | 4969.00027295875 | 4969.00027295875 |
| GEA2 | 13290.5465155497 | 13290.5465155497 |
| GEA4 | 13379.8778733529 | 13379.8778733529 |
| TFW | 17707.4356470686 | 17707.4356470686 |
| TF5W | 13732.2354287016 | 13732.2354287016 |
| P82 | 13267.3728309869 | 13267.3728309869 |
| DK87 | 13359.4243186405 | 13359.4243186405 |
| LLP | 13389.8472513467 | 13389.8472513467 |
| OL1 | 13376.4102012972 | 13376.4102012972 |
| OL2 | 13380.2468652351 | 13380.2468652351 |
| P92 | 13291.6124140092 | 13291.6124140092 |
| T92 | 13285.8363993751 | 13285.8363993751 |
| LC94 | 13386.6240030503 | 13386.6240030503 |
| LP97 | 14481.9459208659 | 14481.9459208659 |
| VJKS00 | 13298.4212972213 | 13298.4212972213 |
| E00 | 13320.8839349214 | 13320.8839349214 |
| TW02 | 13375.9944296882 | 13375.9944296882 |
| PBE2 | 18291.9053015951 | 18291.9053015951 |
| PBE4 | 13981.1100665302 | 13981.1100665302 |
| MGGA | 13402.1560883592 | 13402.1560883592 |
| GDS08 | 5080.69429896732 | 5080.69429896732 |
| RDA | 12129.0519401971 | 12129.0519401971 |
| APBEK | 13391.1467462730 | 13391.1467462730 |
| revAPBEK | 13410.8649414312 | 13410.8649414312 |
| VT84F | 16962.9677885903 | 16962.9677885903 |
| L04 | 13369.1758894093 | 13369.1758894093 |
| L06 | 13369.0251687774 | 13369.0251687774 |
| revMGGA | 13851.5620772218 | 13851.5620772218 |
| revMGGAloc | 13135.9988235523 | 13135.9988235523 |
| TFLreg | 13234.5084272041 | 13234.5084272041 |
| LGAPGE | 13410.3949051318 | 13410.3949051318 |
| LGAP | 13387.0448489784 | 13387.0448489784 |
| MVT84F | 11360.5899030565 | 11360.5899030565 |
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.