| Density | Hartree-Fock |
| Basis | Slater-type functions |
| Integration grid | Double exponential |
| Fractional occupation | Yes |
| Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{5}\)
Kinetic Energy
| Functional | Spin-polarized | Spin-unpolarized |
|---|---|---|
| ref | 4204.78874421300 | 4204.78874421300 |
| TsKS | 4204.78898434820 | 4204.78898434820 |
| TF | 3973.03990575970 | 3971.84572449205 |
| W | 1839.32714770684 | 1838.92010328882 |
| GEA2 | 4177.40958883823 | 4176.17018041303 |
| GEA4 | 4211.62305633535 | 4210.37226202072 |
| TFW | 5812.36705346654 | 5810.76582778087 |
| TF5W | 4340.90533530106 | 4339.62974514981 |
| P82 | 4165.41863394482 | 4164.25436306960 |
| DK87 | 4203.17592566258 | 4202.00261458713 |
| LLP | 4209.47680304370 | 4208.26219538809 |
| OL1 | 4206.75024234355 | 4205.50903523130 |
| OL2 | 4205.62474016006 | 4204.37862129727 |
| P92 | 4177.80676793089 | 4176.56727086333 |
| T92 | 4184.47657689942 | 4183.27667606030 |
| LC94 | 4209.08253191568 | 4207.86298521291 |
| LP97 | 4516.83015746153 | 4515.47252851968 |
| VJKS00 | 4172.43954077963 | 4171.29020289073 |
| E00 | 4190.25374492555 | 4188.98636235648 |
| TW02 | 4206.42108987548 | 4205.20459311176 |
| PBE2 | 6004.47677510107 | 6003.09927783420 |
| PBE4 | 4735.39642709357 | 4734.38293538011 |
| MGGA | 4218.29662006897 | 4217.04848923533 |
| GDS08 | 1898.23230481463 | 1897.60642978434 |
| RDA | 3982.11646480502 | 3981.49576854613 |
| APBEK | 4211.77382108652 | 4210.55828476254 |
| revAPBEK | 4219.95739386307 | 4218.73300854962 |
| VT84F | 5594.78668293624 | 5593.29654009875 |
| L04 | 4207.93038729488 | 4206.67353363639 |
| L06 | 4207.61484217055 | 4206.35599036690 |
| revMGGA | 4391.88262155175 | 4390.64121544542 |
| revMGGAloc | 4136.60599780993 | 4135.47093954274 |
| TFLreg | 4162.60129871264 | 4161.40180765961 |
| LGAPGE | 4220.73044343411 | 4219.47550071394 |
| LGAP | 4210.77696520751 | 4209.54593007585 |
| MVT84F | 3647.12535068916 | 3646.12993707196 |
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.