| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^2\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 288.854362538000 | 288.854362538000 |
| TsKS | 288.854334315415 | 288.854334315415 |
| TF | 267.253843518981 | 267.154887357113 |
| W | 183.030637837465 | 182.972251358764 |
| GEA2 | 287.590581056477 | 287.485137508087 |
| GEA4 | 291.353040360324 | 291.245053962953 |
| TFW | 450.284481356447 | 450.127138715878 |
| TF5W | 303.859971086474 | 303.749337628866 |
| P82 | 284.046725635758 | 283.950299777355 |
| DK87 | 289.074368178101 | 288.976004475450 |
| LLP | 289.289015550514 | 289.188611646304 |
| OL1 | 289.985819927534 | 289.880148228670 |
| OL2 | 289.516187089114 | 289.410117816984 |
| P92 | 287.630577125472 | 287.525120800476 |
| T92 | 289.026199196490 | 288.927278454860 |
| LC94 | 289.507291644836 | 289.406112457133 |
| LP97 | 303.832895902720 | 303.720395604008 |
| VJKS00 | 284.018647461762 | 283.936309445396 |
| E00 | 289.579981805846 | 289.464727119889 |
| TW02 | 289.450169651325 | 289.350597296699 |
| PBE2 | 459.952385408599 | 459.849588978430 |
| PBE4 | 376.535970045695 | 376.522872038932 |
| MGGA | 291.040837029629 | 290.867062055457 |
| GDS08 | 195.883319725506 | 195.701900591157 |
| RDA | 288.592504671464 | 288.500653450484 |
| APBEK | 289.890856167302 | 289.791474313563 |
| revAPBEK | 291.019647172142 | 290.919004691648 |
| VT84F | 433.744009339741 | 433.592903519577 |
| L04 | 291.229619372636 | 291.128787049941 |
| L06 | 291.021057139449 | 290.915377597340 |
| revMGGA | 311.346211355831 | 311.232578664041 |
| revMGGAloc | 289.628254939046 | 289.531560440188 |
| TFLreg | 288.258999247528 | 288.141203788197 |
| LGAPGE | 291.827888322724 | 291.718890495764 |
| LGAP | 290.245864099068 | 290.144329040193 |
| MVT84F | 259.925390202650 | 259.785982829883 |
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.