| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 4f^{14} 6s^1 5d^{9}\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 17331.0696663190 | 17331.0696663190 |
| TsKS | 17324.7386514452 | 17324.7386514452 |
| TF | 16516.5048469387 | 16516.3268857954 |
| W | 6193.14763619919 | 6193.08646722275 |
| GEA2 | 17204.6323620720 | 17204.4476043757 |
| GEA4 | 17315.1745459868 | 17314.9890235841 |
| TFW | 22709.6524831379 | 22709.4133530181 |
| TF5W | 17755.1343741786 | 17754.9441792399 |
| P82 | 17177.2969688341 | 17177.1204083824 |
| DK87 | 17289.8207750603 | 17289.6396552955 |
| LLP | 17331.4074022904 | 17331.2259962354 |
| OL1 | 17313.5472221024 | 17313.3622251999 |
| OL2 | 17320.6747149187 | 17320.4889330498 |
| P92 | 17205.9586473813 | 17205.7738764201 |
| T92 | 17190.0480938837 | 17189.8688523403 |
| LC94 | 17326.8888247197 | 17326.7066337310 |
| LP97 | 18777.1200285106 | 18776.9177098130 |
| VJKS00 | 17219.1332404307 | 17218.9584883767 |
| E00 | 17241.5102987955 | 17241.3228136128 |
| TW02 | 17312.6794659309 | 17312.4970419859 |
| PBE2 | 23452.4691471815 | 23452.2539252364 |
| PBE4 | 17806.2857274011 | 17806.0919056470 |
| MGGA | 17343.8594773215 | 17343.6739602736 |
| GDS08 | 6320.91907242063 | 6320.83138476562 |
| RDA | 15513.4506501787 | 15513.4456799770 |
| APBEK | 17331.7191490238 | 17331.5368366975 |
| revAPBEK | 17355.7607922328 | 17355.5772187010 |
| VT84F | 21733.0197462734 | 21732.7864248116 |
| L04 | 17301.7383945794 | 17301.5516456835 |
| L06 | 17301.6579472964 | 17301.4719006258 |
| revMGGA | 17899.5139233259 | 17899.3291656276 |
| revMGGAloc | 17001.6285170528 | 17001.4606487589 |
| TFLreg | 17129.4332775384 | 17129.2553163950 |
| LGAPGE | 17354.9831754388 | 17354.7964456754 |
| LGAP | 17326.6309155945 | 17326.4464577863 |
| MVT84F | 14636.0158600957 | 14636.0054334013 |
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.