| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^2\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 2075.35973066200 | 2075.35973066200 |
| TsKS | 2075.35988594410 | 2075.35988594410 |
| TF | 1948.01836788363 | 1947.93062640325 |
| W | 1002.84517327079 | 1002.77092302853 |
| GEA2 | 2059.44560935817 | 2059.34961785086 |
| GEA4 | 2078.50580466122 | 2078.40641517965 |
| TFW | 2950.86354115442 | 2950.70154943178 |
| TF5W | 2148.58740253779 | 2148.48481100895 |
| P82 | 2051.17918089882 | 2051.11113621655 |
| DK87 | 2073.25572522884 | 2073.18593940590 |
| LLP | 2075.13855731153 | 2075.05012374153 |
| OL1 | 2074.65005697535 | 2074.55387378597 |
| OL2 | 2073.34388080125 | 2073.24730802866 |
| P92 | 2059.66295210078 | 2059.56694425907 |
| T92 | 2065.43114712690 | 2065.34425106446 |
| LC94 | 2075.23208948178 | 2075.14243531552 |
| LP97 | 2214.64377908465 | 2214.54402842166 |
| VJKS00 | 2053.50703524120 | 2053.44322459766 |
| E00 | 2067.13505743236 | 2067.02661471086 |
| TW02 | 2074.18893228784 | 2074.10171651712 |
| PBE2 | 3045.67683371172 | 3045.59645070058 |
| PBE4 | 2447.83292327623 | 2448.00470166695 |
| MGGA | 2081.28594350029 | 2081.18878302290 |
| GDS08 | 1044.09329464281 | 1043.89756625841 |
| RDA | 2006.47255161422 | 2006.53056095652 |
| APBEK | 2077.00473948925 | 2076.91790994371 |
| revAPBEK | 2081.82037525730 | 2081.73138563025 |
| VT84F | 2848.36917405410 | 2848.27618931520 |
| L04 | 2076.63582656450 | 2076.53542537633 |
| L06 | 2076.32712525369 | 2076.22811774935 |
| revMGGA | 2179.41076296459 | 2179.31476477337 |
| revMGGAloc | 2044.57892206468 | 2044.50339467677 |
| TFLreg | 2054.06514352348 | 2053.97702286488 |
| LGAPGE | 2082.80269571308 | 2082.70206139295 |
| LGAP | 2076.81568103462 | 2076.72465870457 |
| MVT84F | 1815.14820797380 | 1815.10804135060 |
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.