| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 4f^{14} 6s^2 5d^{3}\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 14799.8123721550 | 14799.8123721550 |
| TsKS | 14799.8116026405 | 14799.8116026405 |
| TF | 14090.4725470165 | 14090.1823601483 |
| W | 5411.96399238913 | 5411.78878502959 |
| GEA2 | 14691.8018795042 | 14691.4922251516 |
| GEA4 | 14788.8120651530 | 14788.4943338272 |
| TFW | 19502.4365394057 | 19501.9711451779 |
| TF5W | 15172.8653454944 | 15172.5401171542 |
| P82 | 14667.1209971937 | 14666.8549957109 |
| DK87 | 14766.6087424895 | 14766.3482403227 |
| LLP | 14801.0005424995 | 14800.7062763345 |
| OL1 | 14785.9662749642 | 14785.6561657418 |
| OL2 | 14790.9344970486 | 14790.6230376080 |
| P92 | 14692.9620524463 | 14692.6523597240 |
| T92 | 14683.7570622987 | 14683.4670985322 |
| LC94 | 14797.3147229626 | 14797.0175861829 |
| LP97 | 16019.0365168453 | 16018.7066120799 |
| VJKS00 | 14702.0181928851 | 14701.7660243148 |
| E00 | 14724.5176202608 | 14724.1897854278 |
| TW02 | 14785.4094695851 | 14785.1157557127 |
| PBE2 | 20144.0380839595 | 20143.7235268351 |
| PBE4 | 15356.6659983510 | 15356.8336004930 |
| MGGA | 14813.6949909861 | 14813.3795835849 |
| GDS08 | 5529.72469127127 | 5529.45051554302 |
| RDA | 13349.1518863853 | 13349.3298213461 |
| APBEK | 14801.9666175850 | 14801.6736750458 |
| revAPBEK | 14823.2555503654 | 14822.9576933477 |
| VT84F | 18675.1049123153 | 18674.7337411808 |
| L04 | 14777.1159136454 | 14776.7955303545 |
| L06 | 14776.9927528967 | 14776.6690176029 |
| revMGGA | 15301.3492126620 | 15301.0380120309 |
| revMGGAloc | 14519.9374989602 | 14519.6703193273 |
| TFLreg | 14631.0636927296 | 14630.7689656153 |
| LGAPGE | 14822.6619075732 | 14822.3439264578 |
| LGAP | 14797.4929969536 | 14797.1906995692 |
| MVT84F | 12501.7404728149 | 12501.5963407846 |
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.