| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^4\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 6611.78405721400 | 6611.78405721400 |
| TsKS | 6611.78412964605 | 6611.78412964605 |
| TF | 6266.68400047401 | 6266.59803154174 |
| W | 2714.34744922681 | 2714.28762840739 |
| GEA2 | 6568.27816149922 | 6568.18554580923 |
| GEA4 | 6618.16764572776 | 6618.07438317014 |
| TFW | 8981.03144970082 | 8980.88565994914 |
| TF5W | 6809.55349031937 | 6809.45555722321 |
| P82 | 6552.88153058694 | 6552.81331377788 |
| DK87 | 6606.39321854679 | 6606.31787218034 |
| LLP | 6618.40828630339 | 6618.32084555821 |
| OL1 | 6612.96052210430 | 6612.86775285456 |
| OL2 | 6612.64697882578 | 6612.55381696595 |
| P92 | 6568.86284061505 | 6568.77021179758 |
| T92 | 6574.18255308737 | 6574.09635601006 |
| LC94 | 6617.34865017954 | 6617.26017911051 |
| LP97 | 7124.40548094879 | 7124.30774544271 |
| VJKS00 | 6565.77313905320 | 6565.69856165020 |
| E00 | 6586.23777575085 | 6586.13992917470 |
| TW02 | 6612.69852649397 | 6612.61098446456 |
| PBE2 | 9279.40420189554 | 9279.30694433782 |
| PBE4 | 7225.52825907843 | 7225.68951795752 |
| MGGA | 6629.06398224573 | 6628.97067341622 |
| GDS08 | 2789.39484122452 | 2789.26664480238 |
| RDA | 6158.31950674109 | 6158.44432732192 |
| APBEK | 6620.75358451530 | 6620.66633041261 |
| revAPBEK | 6632.29191025492 | 6632.20284251439 |
| VT84F | 8628.17165349179 | 8628.11568319734 |
| L04 | 6612.51872545462 | 6612.42169962623 |
| L06 | 6612.22536401380 | 6612.13054913837 |
| revMGGA | 6880.19439571036 | 6880.10177521110 |
| revMGGAloc | 6497.00515662470 | 6496.92903515111 |
| TFLreg | 6543.16473554966 | 6543.07876658659 |
| LGAPGE | 6632.75761216087 | 6632.66234019636 |
| LGAP | 6618.88260622448 | 6618.79179716512 |
| MVT84F | 5714.76338601978 | 5714.73374542499 |
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.