Non-self-consistent kinetic energy

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

Configuration

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

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 19524.0079121620 19524.0079121620
TsKS 19524.0095902922 19524.0095902922
TF 18632.6235186853 18632.5636872452
W 6857.75362737819 6857.68807055878
GEA2 19394.5961439495 19394.5290284184
GEA4 19516.6555906319 19516.5849239005
TFW 25490.3771460635 25490.2517578040
TF5W 20004.1742441610 20004.1013013570
P82 19365.0014609971 19364.9603339741
DK87 19488.4990863498 19488.4582658739
LLP 19536.4661975883 19536.4060296501
OL1 19516.1948987872 19516.1276607800
OL2 19525.3655036788 19525.2979897819
P92 19396.0635775475 19395.9964475341
T92 19373.6239811990 19373.5649007020
LC94 19531.2167279100 19531.1554659783
LP97 21182.8720118864 21182.8039913129
VJKS00 19412.8909832497 19412.8538110056
E00 19434.9995010900 19434.9209441787
TW02 19514.9780553232 19514.9191993035
PBE2 26319.7776638660 26319.7288202266
PBE4 19922.4224721186 19922.5728537698
MGGA 19549.2990758235 19549.2302731692
GDS08 6993.82350114829 6993.64361776653
RDA 17384.5642131255 17384.5448438669
APBEK 19536.1359450058 19536.0774470221
revAPBEK 19562.4976004408 19562.4371534596
VT84F 24383.2061204132 24383.1352748162
L04 19501.7355751663 19501.6635242271
L06 19501.6993486283 19501.6283436417
revMGGA 20161.7257587286 20161.6586426112
revMGGAloc 19164.2897653738 19164.2407480773
TFLreg 19312.8746452957 19312.8148138522
LGAPGE 19561.6199389544 19561.5486507719
LGAP 19530.5715887569 19530.5093275853
MVT84F 16491.0664462007 16490.9740647134

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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.