Non-self-consistent kinetic energy

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

Configuration

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

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 17865.3996421110 17865.3996421110
TsKS 17865.3995487757 17865.3995487757
TF 17037.3535406346 17037.3385007076
W 6355.66284684277 6355.62279192581
GEA2 17743.5383013949 17743.5188109216
GEA4 17856.9097117709 17856.8802045781
TFW 23393.0163874774 23392.9612926334
TF5W 18308.4861100031 18308.4630590928
P82 17715.6071416188 17715.5888899876
DK87 17830.8158694648 17830.7730621719
LLP 17874.0023672172 17873.9877237019
OL1 17855.5644709631 17855.5449415936
OL2 17863.2049738101 17863.1853786757
P92 17744.8990889055 17744.8795895082
T92 17727.3213871542 17727.3071479642
LC94 17869.3048046515 17869.2898149396
LP97 19369.2573195933 19369.2402211504
VJKS00 17758.9137638206 17758.9246893628
E00 17781.3051595398 17781.2670699008
TW02 17854.5866367446 17854.5735814912
PBE2 24156.8743266719 24156.8766474098
PBE4 18324.3473742474 18324.3298307207
MGGA 17886.6084493066 17886.5854662430
GDS08 6486.59704347518 6486.49132579116
RDA 15972.4765393780 15972.4136882784
APBEK 17874.1438692531 17874.1308701377
revAPBEK 17898.7534270235 17898.7402534107
VT84F 22383.9493668458 22383.8767013885
L04 17843.0948368973 17843.0878110829
L06 17843.0307957060 17843.0195002369
revMGGA 18456.1491173246 18456.1296271714
revMGGAloc 17533.9825794501 17533.9741492062
TFLreg 17667.1265606722 17667.1115211508
LGAPGE 17897.9799315772 17897.9557001928
LGAP 17868.9481827154 17868.9357123161
MVT84F 15086.9001267036 15086.8006629455

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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.