Density | Hartree-Fock |
Basis | Slater-type functions |
Integration grid | Double exponential |
Fractional occupation | Yes |
Units | Hartree atomic units |
Configuration
\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 6s^2 5d^{1} 4f^{14}\)
Kinetic Energy
Functional | Spin-polarized | Spin-unpolarized |
---|---|---|
ref | 13851.8077927020 | 13851.8077927020 |
TsKS | 13851.8078802867 | 13851.8078802867 |
TF | 13180.2148651458 | 13180.1915098264 |
W | 5114.46606073042 | 5114.44453713271 |
GEA2 | 13748.4888718936 | 13748.4631250634 |
GEA4 | 13840.3404813131 | 13840.3129563909 |
TFW | 18294.6809258762 | 18294.6360469591 |
TF5W | 14203.1080772919 | 14203.0804172530 |
P82 | 13724.8339483389 | 13724.8112707096 |
DK87 | 13819.3388423217 | 13819.3203590648 |
LLP | 13851.0387587993 | 13851.0153073467 |
OL1 | 13837.0728676945 | 13837.0470792508 |
OL2 | 13841.2720308770 | 13841.2461324562 |
P92 | 13749.5857370532 | 13749.5599854771 |
T92 | 13742.7251966621 | 13742.7021668239 |
LC94 | 13847.6637704262 | 13847.6399697784 |
LP97 | 14984.1918019522 | 14984.1652499886 |
VJKS00 | 13757.1434000226 | 13757.1277943774 |
E00 | 13779.6029681122 | 13779.5735566229 |
TW02 | 13836.6199498158 | 13836.5970332631 |
PBE2 | 18897.9437113229 | 18897.9249049728 |
PBE4 | 14431.8305435037 | 14431.8520559206 |
MGGA | 13863.4342955141 | 13863.4026069322 |
GDS08 | 5228.09730560839 | 5228.06016219306 |
RDA | 12527.9224365649 | 12527.9079737289 |
APBEK | 13852.2337118345 | 13852.2109032751 |
revAPBEK | 13872.4674616070 | 13872.4440584402 |
VT84F | 17523.2087065838 | 17523.1594804289 |
L04 | 13829.3107718348 | 13829.2860770983 |
L06 | 13829.1672462541 | 13829.1389807496 |
revMGGA | 14325.4582353926 | 14325.4311481117 |
revMGGAloc | 13588.2919320979 | 13588.2690466867 |
TFLreg | 13691.1720976475 | 13691.1465998321 |
LGAPGE | 13871.9479393377 | 13871.9208591294 |
LGAP | 13848.0046627737 | 13847.9807606328 |
MVT84F | 11711.1978312572 | 11711.1596047932 |
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.