| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 6s^2\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 7883.54371383200 | 7883.54371383200 |
| TsKS | 7883.54343158944 | 7883.54343158944 |
| TF | 7478.29536057398 | 7478.29536057398 |
| W | 3159.81317400646 | 3159.81317400646 |
| GEA2 | 7829.38571324136 | 7829.38571324136 |
| GEA4 | 7887.20183094341 | 7887.20183094341 |
| TFW | 10638.1085345804 | 10638.1085345804 |
| TF5W | 8110.25799537528 | 8110.25799537528 |
| P82 | 7812.42814867694 | 7812.42814867694 |
| DK87 | 7873.71316758629 | 7873.71316758629 |
| LLP | 7888.96972397388 | 7888.96972397388 |
| OL1 | 7882.01714806126 | 7882.01714806126 |
| OL2 | 7882.27107904736 | 7882.27107904736 |
| P92 | 7830.06569465590 | 7830.06569465590 |
| T92 | 7834.15968833697 | 7834.15968833697 |
| LC94 | 7887.52756841335 | 7887.52756841335 |
| LP97 | 8501.85017323312 | 8501.85017323312 |
| VJKS00 | 7828.58230089761 | 7828.58230089761 |
| E00 | 7849.84552153434 | 7849.84552153434 |
| TW02 | 7881.79528459218 | 7881.79528459218 |
| PBE2 | 10991.9159831957 | 10991.9159831957 |
| PBE4 | 8520.34986565667 | 8520.34986565667 |
| MGGA | 7900.44706930481 | 7900.44706930481 |
| GDS08 | 3240.36776544936 | 3240.36776544936 |
| RDA | 7297.24850973545 | 7297.24850973545 |
| APBEK | 7891.23989697035 | 7891.23989697035 |
| revAPBEK | 7904.43892414924 | 7904.43892414924 |
| VT84F | 10213.2010910616 | 10213.2010910616 |
| L04 | 7880.57595153743 | 7880.57595153743 |
| L06 | 7880.30505253478 | 7880.30505253478 |
| revMGGA | 8190.29141034389 | 8190.29141034389 |
| revMGGAloc | 7741.17085646087 | 7741.17085646087 |
| TFLreg | 7797.97066882606 | 7797.97066882606 |
| LGAPGE | 7904.69516217515 | 7904.69516217515 |
| LGAP | 7888.90305930384 | 7888.90305930384 |
| MVT84F | 6784.73627606384 | 6784.73627606384 |
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.