Non-self-consistent kinetic energy

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

Configuration

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

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 16290.6484211490 16290.6484211490
TsKS 16290.6487389509 16290.6487389509
TF 15523.0336044071 15522.3621281539
W 5874.36541501478 5874.09053081808
GEA2 16175.7408727421 16175.0388538004
GEA4 16280.7633085192 16280.0558330003
TFW 21397.3990194219 21396.4526589720
TF5W 16697.9066874101 16697.1802343176
P82 16149.4687371586 16148.8153783718
DK87 16256.6865028629 16256.0168310097
LLP 16295.3280745865 16294.6438637198
OL1 16278.6261856992 16277.9232250263
OL2 16284.8594644020 16284.1534845530
P92 16176.9993841059 16176.2973053715
T92 16163.8745362337 16163.1988403965
LC94 16291.1515036155 16290.4633737324
LP97 17647.6723070487 17646.9089257935
VJKS00 16188.4668537966 16187.8212818414
E00 16210.9264938779 16210.2085765755
TW02 16277.8868554512 16277.1991385358
PBE2 22098.8320040807 22098.0273744364
PBE4 16804.5118662730 16804.0954088203
MGGA 16307.8504476817 16307.1434634660
GDS08 5998.42960006816 5998.02987587143
RDA 14628.3316856385 14628.7214221425
APBEK 16295.9126724022 16295.2256907463
revAPBEK 16318.8337462136 16318.1403556558
VT84F 20481.8922782748 20481.0357168655
L04 16268.0409740763 16267.3257660399
L06 16267.9396670484 16267.2278720679
revMGGA 16835.8192993383 16835.1172798066
revMGGAloc 15985.4954623269 15984.8691612323
TFLreg 16107.4194622869 16106.7474758764
LGAPGE 16318.1327743363 16317.4208720172
LGAP 16291.0746840267 16290.3762125691
MVT84F 13747.7863741875 13747.4689890085

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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.