| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^2\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 6022.93168835400 | 6022.93168835400 |
| TsKS | 6022.93150298956 | 6022.93150298956 |
| TF | 5705.43401574236 | 5705.36696256201 |
| W | 2504.69672718145 | 2504.62884763022 |
| GEA2 | 5983.73365209585 | 5983.65905674314 |
| GEA4 | 6029.87680036482 | 6029.79896980400 |
| TFW | 8210.13074292381 | 8209.99581019224 |
| TF5W | 6206.37336117865 | 6206.29273208805 |
| P82 | 5969.08076345447 | 5969.03334234261 |
| DK87 | 6018.87330315536 | 6018.82619532923 |
| LLP | 6029.46353630541 | 6029.39603951038 |
| OL1 | 6024.70296586722 | 6024.62823037029 |
| OL2 | 6024.15420280784 | 6024.07916227775 |
| P92 | 5984.27344753020 | 5984.19883719869 |
| T92 | 5990.05523676490 | 5989.98893866110 |
| LC94 | 6028.57591136619 | 6028.50727890637 |
| LP97 | 6486.33717128101 | 6486.26094052714 |
| VJKS00 | 5980.51364246999 | 5980.46930050325 |
| E00 | 6000.49222880464 | 6000.40619451390 |
| TW02 | 6024.42026159723 | 6024.35403316160 |
| PBE2 | 8482.65584191082 | 8482.59858261719 |
| PBE4 | 6621.36493712406 | 6621.52498432257 |
| MGGA | 6039.79209244145 | 6039.71605670797 |
| GDS08 | 2576.42902028495 | 2576.24484800062 |
| RDA | 5628.74791516609 | 5628.75064533520 |
| APBEK | 6031.82376946742 | 6031.75791149523 |
| revAPBEK | 6042.57249513268 | 6042.50460315750 |
| VT84F | 7890.43278618608 | 7890.35840313564 |
| L04 | 6024.70766727933 | 6024.62775532929 |
| L06 | 6024.40029805210 | 6024.32189586317 |
| revMGGA | 6272.46238601928 | 6272.38778879809 |
| revMGGAloc | 5920.14764174908 | 5920.09177972871 |
| TFLreg | 5961.17622853294 | 5961.10917534303 |
| LGAPGE | 6043.12790799626 | 6043.04906557228 |
| LGAP | 6030.17196867951 | 6030.10215377218 |
| MVT84F | 5190.25924259955 | 5189.86158631298 |
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.