Non-self-consistent kinetic energy

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

Configuration

\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 6s^2 4f^{7}\)

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 10423.5428674020 10423.5428674020
TsKS 10423.5430230700 10423.5430230700
TF 9902.17706101333 9895.53460961684
W 4015.08785154373 4013.96663962938
GEA2 10348.2979334070 10341.5309029090
GEA4 10421.1055935794 10414.2943072752
TFW 13917.2649125570 13909.5012492462
TF5W 10705.1946313220 10698.3279375427
P82 10328.2503823069 10321.6771788584
DK87 10404.2973499832 10397.6036681584
LLP 10426.3646080286 10419.6729442810
OL1 10416.4545716163 10409.6795470256
OL2 10418.1709741656 10411.3658502035
P92 10349.1605693593 10342.3933031429
T92 10349.4459342920 10342.8540882623
LC94 10424.1290383422 10417.4212105556
LP97 11257.4887327129 11249.9371285260
VJKS00 10351.1402241673 10344.5933829833
E00 10373.5180084844 10366.6940770541
TW02 10416.1750136476 10409.4636851654
PBE2 14378.7149004527 14371.5093696054
PBE4 11063.7292472158 11059.5249137310
MGGA 10438.5611272614 10431.7505795482
GDS08 4110.87779661529 4109.59404357476
RDA 9541.56538427607 9541.81002999430
APBEK 10428.3027895425 10421.5948026746
revAPBEK 10444.6359123127 10437.9002265908
VT84F 13345.9504519105 13338.9186640669
L04 10412.5712873102 10405.7374123812
L06 10412.3446961086 10405.5270400028
revMGGA 10803.7613639335 10796.9943170930
revMGGAloc 10228.6547362375 10222.1972539890
TFLreg 10305.6062743287 10298.9638159323
LGAPGE 10444.5673555078 10437.7573383929
LGAP 10425.1294276793 10418.3668028982
MVT84F 8890.49298987511 8882.38291054485

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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.