| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 199.614636280000 | 199.614636280000 |
| TsKS | 199.614649920373 | 199.614649920373 |
| TF | 184.001048729788 | 184.001048729788 |
| W | 132.598201582063 | 132.598201582063 |
| GEA2 | 198.734182238907 | 198.734182238907 |
| GEA4 | 201.495500689458 | 201.495500689458 |
| TFW | 316.599250311852 | 316.599250311852 |
| TF5W | 210.520689046201 | 210.520689046201 |
| P82 | 195.794393842758 | 195.794393842758 |
| DK87 | 199.564953771450 | 199.564953771450 |
| LLP | 199.796983198486 | 199.796983198486 |
| OL1 | 200.423309283050 | 200.423309283050 |
| OL2 | 200.061933707787 | 200.061933707787 |
| P92 | 198.763194161267 | 198.763194161267 |
| T92 | 199.763101581179 | 199.763101581179 |
| LC94 | 199.983722064126 | 199.983722064126 |
| LP97 | 209.185285227670 | 209.185285227670 |
| VJKS00 | 195.755068571534 | 195.755068571534 |
| E00 | 200.270787779046 | 200.270787779046 |
| TW02 | 199.950003957352 | 199.950003957352 |
| PBE2 | 322.400643326190 | 322.400643326190 |
| PBE4 | 263.554637744459 | 263.554637744459 |
| MGGA | 201.104966707178 | 201.104966707178 |
| GDS08 | 143.158802107533 | 143.158802107533 |
| RDA | 199.842474413900 | 199.842474413900 |
| APBEK | 200.258279145629 | 200.258279145629 |
| revAPBEK | 201.113279094702 | 201.113279094702 |
| VT84F | 304.394249348197 | 304.394249348197 |
| L04 | 201.448108311544 | 201.448108311544 |
| L06 | 201.274294348540 | 201.274294348540 |
| revMGGA | 216.316496769302 | 216.316496769302 |
| revMGGAloc | 201.168241259391 | 201.168241259391 |
| TFLreg | 199.545263520240 | 199.545263520240 |
| LGAPGE | 201.809702128752 | 201.809702128752 |
| LGAP | 200.581391950321 | 200.581391950321 |
| MVT84F | 179.082454692945 | 179.082454692945 |
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.