| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^1\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 1923.26100762700 | 1923.26100762700 |
| TsKS | 1923.26111945088 | 1923.26111945088 |
| TF | 1803.65266040375 | 1803.63577502931 |
| W | 939.601326214801 | 939.581707578262 |
| GEA2 | 1908.05280776095 | 1908.03374253800 |
| GEA4 | 1925.95522819286 | 1925.93346129748 |
| TFW | 2743.25398661856 | 2743.21748260757 |
| TF5W | 1991.57292564671 | 1991.55211654496 |
| P82 | 1900.11183462194 | 1900.09846596314 |
| DK87 | 1920.95657942362 | 1920.94124153464 |
| LLP | 1922.56593376890 | 1922.54904531552 |
| OL1 | 1922.21786457411 | 1922.19875776812 |
| OL2 | 1920.92769251919 | 1920.90851264892 |
| P92 | 1908.25652226716 | 1908.23745270804 |
| T92 | 1913.85555175461 | 1913.83899920259 |
| LC94 | 1922.68684590793 | 1922.66968046156 |
| LP97 | 2050.51872705507 | 2050.49953057824 |
| VJKS00 | 1902.14844957094 | 1902.14021318210 |
| E00 | 1915.32517439554 | 1915.30072831616 |
| TW02 | 1921.75185349487 | 1921.73550027832 |
| PBE2 | 2831.02841233756 | 2831.01672524032 |
| PBE4 | 2279.77840523176 | 2279.80692432870 |
| MGGA | 1928.50107812890 | 1928.48128642830 |
| GDS08 | 979.220913508918 | 979.154328948128 |
| RDA | 1863.05013825785 | 1863.03914899614 |
| APBEK | 1924.37896007815 | 1924.36269503516 |
| revAPBEK | 1928.92948005369 | 1928.91275936903 |
| VT84F | 2648.70609928246 | 2648.67614777196 |
| L04 | 1924.22620007131 | 1924.20697537854 |
| L06 | 1923.91980772036 | 1923.90051629223 |
| revMGGA | 2020.75323762043 | 2020.73417170210 |
| revMGGAloc | 1894.85635913922 | 1894.84270672634 |
| TFLreg | 1903.40262649115 | 1903.38552540798 |
| LGAPGE | 1929.91126888739 | 1929.89053038304 |
| LGAP | 1924.24510758487 | 1924.22802771740 |
| MVT84F | 1687.41287573709 | 1687.39761106305 |
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.