Density | Hartree-Fock |
Basis | Slater-type functions |
Integration grid | Double exponential |
Fractional occupation | Yes |
Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 4f^{14} 6s^2 5d^{10}\)
Kinetic Energy
Functional | Spin-polarized | Spin-unpolarized |
---|---|---|
ref | 18408.9913259920 | 18408.9913259920 |
TsKS | 18408.9896452735 | 18408.9896452735 |
TF | 17560.2371375257 | 17560.2371375257 |
W | 6520.86258568924 | 6520.86258568924 |
GEA2 | 18284.7774248245 | 18284.7774248245 |
GEA4 | 18401.0024729608 | 18401.0024729608 |
TFW | 24081.0997232149 | 24081.0997232149 |
TF5W | 18864.4096546636 | 18864.4096546636 |
P82 | 18256.2993618362 | 18256.2993618362 |
DK87 | 18374.2340789918 | 18374.2340789918 |
LLP | 18418.9934054735 | 18418.9934054735 |
OL1 | 18399.9481993147 | 18399.9481993147 |
OL2 | 18408.0840474700 | 18408.0840474700 |
P92 | 18286.1733081666 | 18286.1733081666 |
T92 | 18267.0332270527 | 18267.0332270527 |
LC94 | 18414.1149137451 | 18414.1149137451 |
LP97 | 19963.7080312149 | 19963.7080312149 |
VJKS00 | 18301.1360650955 | 18301.1360650955 |
E00 | 18323.3965321555 | 18323.3965321555 |
TW02 | 18398.9019307244 | 18398.9019307244 |
PBE2 | 24866.5665700920 | 24866.5665700920 |
PBE4 | 18848.9583905571 | 18848.9583905571 |
MGGA | 18431.7076126010 | 18431.7076126010 |
GDS08 | 6653.47531344094 | 6653.47531344094 |
RDA | 16437.2008803240 | 16437.2008803240 |
APBEK | 18418.9857398896 | 18418.9857398896 |
revAPBEK | 18444.1726044334 | 18444.1726044334 |
VT84F | 23039.8545495292 | 23039.8545495292 |
L04 | 18386.8408945699 | 18386.8408945699 |
L06 | 18386.7791257452 | 18386.7791257452 |
revMGGA | 19015.3451377606 | 19015.3451377606 |
revMGGAloc | 18068.4569016323 | 18068.4569016323 |
TFLreg | 18206.8758654461 | 18206.8758654461 |
LGAPGE | 18443.3518901529 | 18443.3518901529 |
LGAP | 18413.6671237452 | 18413.6671237452 |
MVT84F | 15539.6971498613 | 15539.6971498613 |
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.