| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 3131.54568352100 | 3131.54568352100 |
| TsKS | 3131.54605165972 | 3131.54605165972 |
| TF | 2951.88516613102 | 2951.88516613102 |
| W | 1427.03146819522 | 1427.03146819522 |
| GEA2 | 3110.44421815271 | 3110.44421815271 |
| GEA4 | 3137.21632470310 | 3137.21632470310 |
| TFW | 4378.91663432625 | 4378.91663432625 |
| TF5W | 3237.29145977007 | 3237.29145977007 |
| P82 | 3100.31517727580 | 3100.31517727580 |
| DK87 | 3130.40394716603 | 3130.40394716603 |
| LLP | 3134.34595000070 | 3134.34595000070 |
| OL1 | 3132.74714444559 | 3132.74714444559 |
| OL2 | 3131.44803478682 | 3131.44803478682 |
| P92 | 3110.75283921780 | 3110.75283921780 |
| T92 | 3117.31438581791 | 3117.31438581791 |
| LC94 | 3134.20768485668 | 3134.20768485668 |
| LP97 | 3355.90989670527 | 3355.90989670527 |
| VJKS00 | 3104.89129857202 | 3104.89129857202 |
| E00 | 3120.75848152941 | 3120.75848152941 |
| TW02 | 3132.38740958266 | 3132.38740958266 |
| PBE2 | 4522.73358861427 | 4522.73358861427 |
| PBE4 | 3596.60203116268 | 3596.60203116268 |
| MGGA | 3141.97011325584 | 3141.97011325584 |
| GDS08 | 1476.87284864326 | 1476.87284864326 |
| RDA | 2994.63871209845 | 2994.63871209845 |
| APBEK | 3136.48538233663 | 3136.48538233663 |
| revAPBEK | 3143.02433903491 | 3143.02433903491 |
| VT84F | 4220.39163329126 | 4220.39163329126 |
| L04 | 3134.42013896804 | 3134.42013896804 |
| L06 | 3134.10884640894 | 3134.10884640894 |
| revMGGA | 3278.59306076168 | 3278.59306076168 |
| revMGGAloc | 3083.01044063369 | 3083.01044063369 |
| TFLreg | 3100.75842035160 | 3100.75842035160 |
| LGAPGE | 3143.88182794231 | 3143.88182794231 |
| LGAP | 3135.87440528987 | 3135.87440528987 |
| MVT84F | 2726.49606321523 | 2726.49606321523 |
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.