Non-self-consistent kinetic energy

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

Configuration

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

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 14321.2495465280 14321.2495465280
TsKS 14321.2502112277 14321.2502112277
TF 13630.8638890459 13630.7506387210
W 5262.11116880232 5262.02940159756
GEA2 14215.5429078017 14215.4205722319
GEA4 14309.9542514606 14309.8270074137
TFW 18892.9750578482 18892.7800403186
TF5W 14683.2861228064 14683.1565190405
P82 14191.3868241543 14191.2837232203
DK87 14288.3656527704 14288.2713554831
LLP 14321.3918999063 14321.2774569395
OL1 14306.8937583928 14306.7712357106
OL2 14311.4700009834 14311.3469470956
P92 14216.6711957182 14216.5488421869
T92 14208.6676098909 14208.5549844019
LC94 14317.8626715144 14317.7468665492
LP97 15496.5211894904 15496.3924385855
VJKS00 14224.9758355939 14224.8850810049
E00 14247.4507168652 14247.3178699364
TW02 14306.3930897814 14306.2796238533
PBE2 19515.2753451978 19515.1632229360
PBE4 14890.2905549534 14890.3950070707
MGGA 14333.9478552609 14333.8226261595
GDS08 5377.78261166768 5377.64973803200
RDA 12934.9488437145 12934.9683764472
APBEK 14322.4750986713 14322.3620318744
revAPBEK 14343.2323564869 14343.1169288149
VT84F 18093.8891407345 18093.7218907996
L04 14298.5920812539 14298.4657329918
L06 14298.4594395752 14298.3286432765
revMGGA 14808.6897440273 14808.5659156151
revMGGAloc 14049.5775781872 14049.4722855309
TFLreg 14156.6678137286 14156.5504124149
LGAPGE 14342.6725735933 14342.5458877601
LGAP 14318.1221256101 14318.0045511040
MVT84F 12105.2638112602 12105.1936528240

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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.