Non-self-consistent kinetic energy

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

Configuration

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

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 9283.88284816900 9283.88284816900
TsKS 9283.88322029320 9283.88322029320
TF 8811.42048386937 8809.63796240889
W 3636.03026828447 3635.69549985753
GEA2 9215.42384701209 9213.60412905972
GEA4 9281.60337531114 9279.76906767426
TFW 12447.4507521538 12445.3334622664
TF5W 9538.62653752628 9536.77706238040
P82 9196.78522041045 9195.04016807076
DK87 9266.30110111663 9264.51539212203
LLP 9285.26859843459 9283.47303715774
OL1 9276.66058060232 9274.83865096149
OL2 9277.66190340268 9275.83188348387
P92 9216.20558340240 9214.38579470366
T92 9218.45243726331 9216.68393646357
LC94 9283.38963652166 9281.58896807181
LP97 10017.4402260390 10015.4137307406
VJKS00 9216.63029370924 9214.88341099966
E00 9238.53581756069 9236.69706323003
TW02 9276.43973329573 9274.63910223289
PBE2 12861.1358527000 12859.2074191157
PBE4 9926.86296880291 9926.08772968759
MGGA 9297.32788742561 9295.49381782105
GDS08 3725.08783582053 3724.69387006724
RDA 8537.94991458986 8537.99841917209
APBEK 9287.37744329114 9285.57797878556
revAPBEK 9302.32466295148 9300.51636527057
VT84F 11942.3458469119 11940.5473831518
L04 9273.90933168245 9272.06606449724
L06 9273.66659355652 9271.82966938465
revMGGA 9629.01344948414 9627.19371759402
revMGGAloc 9109.78570443157 9108.05839650112
TFLreg 9177.27267130895 9175.49014956456
LGAPGE 9302.37501138446 9300.54194586097
LGAP 9284.55234971511 9282.73525436602
MVT84F 7950.19265084238 7949.34436264778

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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.