Non-self-consistent kinetic energy

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

Configuration

\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 6s^2 4f^{13}\)

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 12940.1742286510 12940.1742286510
TsKS 12940.1740862486 12940.1740862486
TF 12304.7281913904 12304.5523956765
W 4826.37654146156 4826.35215716443
GEA2 12840.9922515528 12840.8137464726
GEA4 12927.8570496259 12927.6777621095
TFW 17131.1047328520 17130.9045528410
TF5W 13270.0034996828 13269.8228271094
P82 12818.3173157387 12818.1410357476
DK87 12907.9745078368 12907.7961690514
LLP 12937.1109901893 12936.9338764554
OL1 12924.1877643970 12924.0090584736
OL2 12927.6666314977 12927.4871324838
P92 12842.0277897691 12841.8492796162
T92 12837.3296405214 12837.1551229162
LC94 12934.0363127034 12933.8588944823
LP97 13988.8772055039 13988.6773486183
VJKS00 12848.1232407567 12847.9485381987
E00 12870.5612855424 12870.3818154875
TW02 12923.8163726082 12923.6387376802
PBE2 17697.2103754621 17697.0192367914
PBE4 13539.1808173676 13539.0124843764
MGGA 12949.4577439159 12949.2784659884
GDS08 4935.71926929999 4935.69217553765
RDA 11738.5992158001 11738.6066656017
APBEK 12938.5166148746 12938.3390277650
revAPBEK 12957.7282474765 12957.5501416197
VT84F 16413.2457722316 16413.0473966960
L04 12917.4749309391 12917.2953994752
L06 12917.3155751263 12917.1362242984
revMGGA 13386.2549689599 13386.0764636147
revMGGAloc 12691.7288143611 12691.5570414519
TFLreg 12785.8789303986 12785.7031346799
LGAPGE 12957.2977282152 12957.1183577375
LGAP 12934.5357314658 12934.3571510086
MVT84F 10988.3496960724 10988.2238912046

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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.