| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^3\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 6313.48531389700 | 6313.48531389700 |
| TsKS | 6313.48529887703 | 6313.48529887703 |
| TF | 5982.46081823197 | 5982.28358818407 |
| W | 2608.53613040909 | 2608.38443561032 |
| GEA2 | 6272.29816605521 | 6272.10408102967 |
| GEA4 | 6320.29983714003 | 6320.10139298823 |
| TFW | 8590.99694864107 | 8590.66802379440 |
| TF5W | 6504.16804431379 | 6503.96047530614 |
| P82 | 6257.24028536696 | 6257.10871805890 |
| DK87 | 6308.88147339172 | 6308.74381989847 |
| LLP | 6320.19228915316 | 6320.01287988749 |
| OL1 | 6315.10251000900 | 6314.90808373887 |
| OL2 | 6314.66774822587 | 6314.47251252053 |
| P92 | 6272.86019570066 | 6272.66607727506 |
| T92 | 6278.41339815756 | 6278.23683457651 |
| LC94 | 6319.22184252232 | 6319.03984020360 |
| LP97 | 6801.28065173694 | 6801.07916419989 |
| VJKS00 | 6269.39032687243 | 6269.25383539041 |
| E00 | 6289.66470750506 | 6289.45105508175 |
| TW02 | 6314.82059122535 | 6314.64265692896 |
| PBE2 | 8876.20181439077 | 8876.02450259728 |
| PBE4 | 6919.66354910869 | 6920.05381975615 |
| MGGA | 6330.70713859044 | 6330.51060568103 |
| GDS08 | 2682.03652644198 | 2681.68388408861 |
| RDA | 5890.63701941020 | 5890.78152749083 |
| APBEK | 6322.54583066955 | 6322.36869423543 |
| revAPBEK | 6333.68881743811 | 6333.50704449689 |
| VT84F | 8254.85941307411 | 8254.71005162830 |
| L04 | 6314.89638316748 | 6314.68991083467 |
| L06 | 6314.59348760127 | 6314.39162422803 |
| revMGGA | 6572.51094193922 | 6572.31684969609 |
| revMGGAloc | 6204.90780516075 | 6204.75557029119 |
| TFLreg | 6248.61450246164 | 6248.43727237231 |
| LGAPGE | 6334.21261651987 | 6334.01036357817 |
| LGAP | 6320.79100844343 | 6320.60477912971 |
| MVT84F | 5453.01558417138 | 5452.86769765390 |
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.