Non-self-consistent kinetic energy

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

Configuration

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

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 11641.4524785550 11641.4524785550
TsKS 11641.4523930765 11641.4523930765
TF 11061.7407937857 11059.2639531308
W 4411.23003219408 4410.85494314690
GEA2 11551.8774640295 11549.3589468137
GEA4 11631.5540914355 11629.0224059107
TFW 15472.9708259798 15470.1188962776
TF5W 11943.9868002245 11941.4349417601
P82 11530.6079475654 11528.1357533347
DK87 11613.2957233238 11610.7882558974
LLP 11638.7478009052 11636.2525427687
OL1 11627.3473497275 11624.8259330358
OL2 11629.8674216696 11627.3347954932
P92 11552.8245693696 11550.3059737663
T92 11550.9182674496 11548.4599329747
LC94 11636.1039117249 11633.6035925239
LP97 12575.7620352519 12572.9461892421
VJKS00 11556.8295949146 11554.3764896582
E00 11579.2150752977 11576.6798814090
TW02 11627.0589473230 11624.5562095810
PBE2 15985.5754451283 15982.8843887332
PBE4 12264.8905387348 12262.8857714513
MGGA 11651.2376343696 11648.7061491505
GDS08 4513.67343396345 4513.25083068247
RDA 10606.8813263786 10607.0128173583
APBEK 11640.4430674179 11637.9412486015
revAPBEK 11658.1809675125 11655.6705471239
VT84F 14831.2665693846 14828.5423833307
L04 11622.1093413410 11619.5724822900
L06 11621.9208953475 11619.3878297543
revMGGA 12051.2300951376 12048.7115732485
revMGGAloc 11417.8633588542 11415.4483960768
TFLreg 11504.3949235248 11501.9180828071
LGAPGE 11657.9046759232 11655.3723559303
LGAP 11636.8493878672 11634.3308287393
MVT84F 9845.89704127896 9845.15322776205

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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.