| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 6s^2 5d^{1}\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 8221.06654173100 | 8221.06654173100 |
| TsKS | 8221.06711185946 | 8221.06711185946 |
| TF | 7799.52814855178 | 7799.50886520255 |
| W | 3276.57980777007 | 3276.56368745382 |
| GEA2 | 8163.59257163735 | 8163.57149714186 |
| GEA4 | 8223.48251538932 | 8223.46013269942 |
| TFW | 11076.1079563218 | 11076.0725526563 |
| TF5W | 8454.84411010580 | 8454.82160269331 |
| P82 | 8146.22224456413 | 8146.20385280381 |
| DK87 | 8209.55149563817 | 8209.53542526612 |
| LLP | 8225.66690266390 | 8225.64733859954 |
| OL1 | 8218.31800607760 | 8218.29689799554 |
| OL2 | 8218.73452833195 | 8218.71333363674 |
| P92 | 8164.29752124745 | 8164.27644319809 |
| T92 | 8168.01438355861 | 8167.99510376739 |
| LC94 | 8224.12247352856 | 8224.10265917629 |
| LP97 | 8867.05011552420 | 8867.02819286160 |
| VJKS00 | 8163.24701670155 | 8163.23225011127 |
| E00 | 8184.70844878586 | 8184.68518720518 |
| TW02 | 8218.10086604779 | 8218.08153776455 |
| PBE2 | 11444.4892761012 | 11444.4701350002 |
| PBE4 | 8861.59457459505 | 8861.60256123999 |
| MGGA | 8237.25324457311 | 8237.22790579263 |
| GDS08 | 3358.79654930260 | 3358.76506447866 |
| RDA | 7597.57300843098 | 7597.55627256606 |
| APBEK | 8227.91027564862 | 8227.89101800533 |
| revAPBEK | 8241.54253478062 | 8241.52284726418 |
| VT84F | 10631.9563533621 | 10631.9200561304 |
| L04 | 8216.59571698948 | 8216.57437174354 |
| L06 | 8216.32996938759 | 8216.30697148955 |
| revMGGA | 8537.31015438251 | 8537.28804103707 |
| revMGGAloc | 8070.86247589376 | 8070.84356745404 |
| TFLreg | 8130.86058654324 | 8130.83992025701 |
| LGAPGE | 8241.74793252834 | 8241.72599184600 |
| LGAP | 8225.45375475191 | 8225.43370926127 |
| MVT84F | 7050.31208003627 | 7050.29031767228 |
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.