Non-self-consistent kinetic energy

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

Configuration

\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 6s^2 4f^{9}\)

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 11226.5682614750 11226.5682614750
TsKS 11226.5684642858 11226.5684642858
TF 10666.1179508009 10662.4204388997
W 4277.08382185489 4276.50509850913
GEA2 11141.3494865626 11137.5876720674
GEA4 11218.7010217593 11214.9181626576
TFW 14943.2017726558 14938.9255374088
TF5W 11521.5347151719 11517.7214586015
P82 11120.5119972152 11116.8298914098
DK87 11200.9489429005 11197.2100435938
LLP 11225.2362201640 11221.5112971480
OL1 11214.3361817094 11210.5700001505
OL2 11216.5717830511 11212.7888548255
P92 11142.2679974302 11138.5060617776
T92 11141.1567025504 11137.4870716877
LC94 11222.7309288368 11218.9980079319
LP97 12125.9902658862 12121.7866752706
VJKS00 11145.5918279990 11141.9349546907
E00 11167.9682704497 11164.1796153996
TW02 11214.0592058113 11210.3231286795
PBE2 15438.4991853806 15434.4837865765
PBE4 11856.5822600050 11853.7981468023
MGGA 11237.6103035271 11233.8278591365
GDS08 4377.27682113621 4376.62128940051
RDA 10244.1208242910 10244.2710838957
APBEK 11227.0179602651 11223.2834022238
revAPBEK 11244.2799320311 11240.5317616699
VT84F 14325.6210201736 14321.6002635842
L04 11209.5622094848 11205.7703558454
L06 11209.3624470517 11205.5771547006
revMGGA 11625.8470576574 11622.0852351614
revMGGAloc 11012.2184743001 11008.6164309321
TFLreg 11095.7756194701 11092.0781074387
LGAPGE 11244.0666207759 11240.2832244769
LGAP 11223.5606916786 11219.7995077455
MVT84F 9582.30313621558 9578.45638268533

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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.