Non-self-consistent kinetic energy

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

Configuration

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

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 8921.18088617200 8921.18088617200
TsKS 8921.18135208222 8921.18135208222
TF 8465.49286047590 8464.56628949159
W 3513.87311564416 3513.69118055613
GEA2 8855.92320665858 8854.97642066449
GEA4 8919.96186518839 8919.00681425950
TFW 11979.3659761200 11978.2574700477
TF5W 9168.26748360472 9167.30452560281
P82 8837.72741222809 8836.82524415453
DK87 8905.13501112035 8904.20967610936
LLP 8923.12725757666 8922.19394129012
OL1 8914.94275373586 8913.99480442230
OL2 8915.73655477305 8914.78439790572
P92 8856.67885414797 8855.73202962460
T92 8859.46389948556 8858.54470398107
LC94 8921.36179109368 8920.42564613570
LP97 9624.16546446979 9623.11207364960
VJKS00 8856.60751439388 8855.70186240302
E00 8878.35549607091 8877.39789933194
TW02 8914.72942796627 8913.79355102330
PBE2 12377.6722768776 12376.6712412457
PBE4 9563.83821042501 9563.51022177743
MGGA 8935.00097222647 8934.04603172561
GDS08 3600.74592140461 3600.52926130436
RDA 8217.94934525763 8217.96763779551
APBEK 8925.28385227127 8924.34864419116
revAPBEK 8939.78362854655 8938.84350489183
VT84F 11495.1805059243 11494.2659436933
L04 8912.54021132525 8911.57972688079
L06 8912.29127874634 8911.33461448262
revMGGA 9256.00438036716 9255.05758288496
revMGGAloc 8754.76670752181 8753.87013393740
TFLreg 8819.95748286842 8819.03090773339
LGAPGE 8939.88110128571 8938.92694951703
LGAP 8922.57900362901 8921.63394657972
MVT84F 7670.78033334972 7670.72709519327

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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.