| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 7232.13836719600 | 7232.13836719600 |
| TsKS | 7232.13903665232 | 7232.13903665232 |
| TF | 6857.94606659656 | 6857.94606659656 |
| W | 2932.54918161602 | 2932.54918161602 |
| GEA2 | 7183.78486455389 | 7183.78486455389 |
| GEA4 | 7237.57010995518 | 7237.57010995518 |
| TFW | 9790.49524821259 | 9790.49524821259 |
| TF5W | 7444.45590291977 | 7444.45590291977 |
| P82 | 7167.63966603351 | 7167.63966603351 |
| DK87 | 7224.97755929430 | 7224.97755929430 |
| LLP | 7238.53744345804 | 7238.53744345804 |
| OL1 | 7232.35517015500 | 7232.35517015500 |
| OL2 | 7232.31085203923 | 7232.31085203923 |
| P92 | 7184.41623284364 | 7184.41623284364 |
| T92 | 7189.16769111109 | 7189.16769111109 |
| LC94 | 7237.29112470677 | 7237.29112470677 |
| LP97 | 7796.59362770103 | 7796.59362770103 |
| VJKS00 | 7182.08360627168 | 7182.08360627168 |
| E00 | 7202.98721390649 | 7202.98721390649 |
| TW02 | 7232.11188748968 | 7232.11188748968 |
| PBE2 | 10115.9631332495 | 10115.9631332495 |
| PBE4 | 7858.55973343649 | 7858.55973343649 |
| MGGA | 7249.71465941821 | 7249.71465941821 |
| GDS08 | 3011.08275124026 | 3011.08275124026 |
| RDA | 6715.17217092062 | 6715.17217092062 |
| APBEK | 7240.84740979717 | 7240.84740979717 |
| revAPBEK | 7253.19920840447 | 7253.19920840447 |
| VT84F | 9402.59132692334 | 9402.59132692334 |
| L04 | 7231.41734057504 | 7231.41734057504 |
| L06 | 7231.14182433484 | 7231.14182433484 |
| revMGGA | 7519.75622347074 | 7519.75622347074 |
| revMGGAloc | 7104.30816327900 | 7104.30816327900 |
| TFLreg | 7154.70279904697 | 7154.70279904697 |
| LGAPGE | 7253.56887308727 | 7253.56887308727 |
| LGAP | 7238.74374506425 | 7238.74374506425 |
| MVT84F | 6236.58394794880 | 6236.58394794880 |
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.