| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^1 3d^{10}\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 1638.96374177000 | 1638.96374177000 |
| TsKS | 1638.96400698290 | 1638.96400698290 |
| TF | 1534.00706921079 | 1533.98672942454 |
| W | 819.570730439301 | 819.523990987143 |
| GEA2 | 1625.07048370405 | 1625.04495064534 |
| GEA4 | 1640.78206625511 | 1640.75034817092 |
| TFW | 2353.57779965009 | 2353.51072041169 |
| TF5W | 1697.92121529865 | 1697.89152762197 |
| P82 | 1617.73967866846 | 1617.71340476649 |
| DK87 | 1636.22986081614 | 1636.18420029725 |
| LLP | 1637.35843347917 | 1637.33855563761 |
| OL1 | 1637.27700271739 | 1637.25141142026 |
| OL2 | 1636.03260182033 | 1636.00692643252 |
| P92 | 1625.24831738518 | 1625.22277392438 |
| T92 | 1630.45705546542 | 1630.43770859383 |
| LC94 | 1637.52773908907 | 1637.50740565278 |
| LP97 | 1743.96672480580 | 1743.94360111157 |
| VJKS00 | 1619.20307282262 | 1619.21191932666 |
| E00 | 1631.57779232866 | 1631.53296048256 |
| TW02 | 1636.78241446657 | 1636.76458241229 |
| PBE2 | 2427.95447637860 | 2427.95622795750 |
| PBE4 | 1962.71361048123 | 1962.68689021389 |
| MGGA | 1642.91911905130 | 1642.89025465759 |
| GDS08 | 856.306817037209 | 856.183183148055 |
| RDA | 1593.56703727967 | 1593.48517119542 |
| APBEK | 1639.05213838459 | 1639.03439805703 |
| revAPBEK | 1643.09579955390 | 1643.07770449841 |
| VT84F | 2273.68718930428 | 2273.58724336717 |
| L04 | 1639.29617794610 | 1639.28580320282 |
| L06 | 1639.00700839056 | 1638.98782992392 |
| revMGGA | 1723.88996012866 | 1723.86442932777 |
| revMGGAloc | 1614.78875316209 | 1614.77612973483 |
| TFLreg | 1621.38304179126 | 1621.36309701278 |
| LGAPGE | 1644.09948761043 | 1644.06896302738 |
| LGAP | 1639.02367118196 | 1639.00619743375 |
| MVT84F | 1437.90629557294 | 1437.80368453989 |
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.