Non-self-consistent kinetic energy

Density Hartree-Fock
Basis Slater-type functions
Integration grid Double exponential
Fractional occupation Yes
Units Hartree atomic units

Configuration

\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 4f^{14} 6s^2 5d^{10} 6p^6\)

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 21866.7720364820 21866.7720364820
TsKS 21866.7725627113 21866.7725627113
TF 20885.7577225151 20885.7577225151
W 7557.33998201174 7557.33998201174
GEA2 21725.4621649608 21725.4621649608
GEA4 21859.6200456147 21859.6200456147
TFW 28443.0977045268 28443.0977045268
TF5W 22397.2257189174 22397.2257189174
P82 21693.6809118321 21693.6809118321
DK87 21828.6261863646 21828.6261863646
LLP 21883.3587857057 21883.3587857057
OL1 21860.4849343888 21860.4849343888
OL2 21871.9008932025 21871.9008932025
P92 21727.0780912421 21727.0780912421
T92 21697.4454158600 21697.4454158600
LC94 21877.3166991667 21877.3166991667
LP97 23744.3928528708 23744.3928528708
VJKS00 21748.0092133870 21748.0092133870
E00 21769.5216943948 21769.5216943948
TW02 21858.9153409941 21858.9153409941
PBE2 29364.4436311188 29364.4436311188
PBE4 22169.8715011919 22169.8715011919
MGGA 21895.6230980254 21895.6230980254
GDS08 7700.77324084166 7700.77324084166
RDA 19376.8076014216 19376.8076014216
APBEK 21882.3110075982 21882.3110075982
revAPBEK 21911.0869012783 21911.0869012783
VT84F 27197.6594241921 27197.6594241921
L04 21843.1100041920 21843.1100041920
L06 21843.1374751341 21843.1374751341
revMGGA 22568.3037375044 22568.3037375044
revMGGAloc 21465.5809607079 21465.5809607079
TFLreg 21632.2144771221 21632.2144771221
LGAPGE 21910.0665418003 21910.0665418003
LGAP 21876.2267907711 21876.2267907711
MVT84F 18400.9354049348 18400.9354049348

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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.