| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 4d^{10}\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 4937.92101983500 | 4937.92101983500 |
| TsKS | 4937.92106550046 | 4937.92106550046 |
| TF | 4670.94755233506 | 4670.94755233506 |
| W | 2110.86338051482 | 2110.86338051482 |
| GEA2 | 4905.48792794781 | 4905.48792794781 |
| GEA4 | 4944.57740730939 | 4944.57740730939 |
| TFW | 6781.81093284988 | 6781.81093284988 |
| TF5W | 5093.12022843802 | 5093.12022843802 |
| P82 | 4892.38708011812 | 4892.38708011812 |
| DK87 | 4935.09585224349 | 4935.09585224349 |
| LLP | 4943.08653192382 | 4943.08653192382 |
| OL1 | 4939.54894347946 | 4939.54894347946 |
| OL2 | 4938.62498939592 | 4938.62498939592 |
| P92 | 4905.94333830194 | 4905.94333830194 |
| T92 | 4912.36907341309 | 4912.36907341309 |
| LC94 | 4942.49809119180 | 4942.49809119180 |
| LP97 | 5310.26047277366 | 5310.26047277366 |
| VJKS00 | 4901.13936555501 | 4901.13936555501 |
| E00 | 4919.95827326943 | 4919.95827326943 |
| TW02 | 4939.23567478020 | 4939.23567478020 |
| PBE2 | 7006.47944128035 | 7006.47944128035 |
| PBE4 | 5498.91118967035 | 5498.91118967035 |
| MGGA | 4952.64852494713 | 4952.64852494713 |
| GDS08 | 2176.42876839082 | 2176.42876839082 |
| RDA | 4647.04940196905 | 4647.04940196905 |
| APBEK | 4945.42307338075 | 4945.42307338075 |
| revAPBEK | 4954.66071195515 | 4954.66071195515 |
| VT84F | 6523.13741244203 | 6523.13741244203 |
| L04 | 4940.26729082681 | 4940.26729082681 |
| L06 | 4939.95932633442 | 4939.95932633442 |
| revMGGA | 5150.45291887439 | 5150.45291887439 |
| revMGGAloc | 4855.77819757891 | 4855.77819757891 |
| TFLreg | 4888.11424958225 | 4888.11424958225 |
| LGAPGE | 4955.35888312118 | 4955.35888312118 |
| LGAP | 4944.15864250603 | 4944.15864250603 |
| MVT84F | 4265.87827778206 | 4265.87827778206 |
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.