Non-self-consistent kinetic energy

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

Configuration

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

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 15784.5330140530 15784.5330140530
TsKS 15784.5313430740 15784.5313430740
TF 15036.9766094917 15035.9895640801
W 5718.27840555935 5717.81411167922
GEA2 15672.3408767761 15671.3022431556
GEA4 15774.6625521042 15773.6099628215
TFW 20755.2550150511 20753.8036757594
TF5W 16180.6322906036 16179.5523864160
P82 15646.5635331503 15645.6165890604
DK87 15751.1768845099 15750.2158997835
LLP 15788.3939994141 15787.3893911459
OL1 15772.2730567585 15771.2329905875
OL2 15778.0717791545 15777.0272236915
P92 15673.5662021979 15672.5274673133
T92 15661.7799578376 15660.7884413794
LC94 15784.3874893691 15783.3758897697
LP97 17095.0886570088 17093.9665146222
VJKS00 15684.1540019867 15683.2315790121
E00 15706.7103204488 15705.6369306191
TW02 15771.5830519713 15770.5751169560
PBE2 21436.2945070581 21435.1405178958
PBE4 16313.8213665321 16313.5716999904
MGGA 15801.0663386209 15800.0164068733
GDS08 5840.33778562617 5839.65393886039
RDA 14194.8814155043 14195.5943732655
APBEK 15789.1114201842 15788.1050127855
revAPBEK 15811.4871567718 15810.4691584545
VT84F 19869.6245543369 19868.3608123909
L04 15762.2883918240 15761.2281477025
L06 15762.1825786576 15761.1206868830
revMGGA 16315.3538597790 16314.3135091678
revMGGAloc 15488.2888372646 15487.3717709002
TFLreg 15606.8790946288 15605.8871155974
LGAPGE 15810.8398242535 15809.7825305963
LGAP 15784.4044320279 15783.3767823786
MVT84F 13366.8409733921 13362.9357031400

Disclaimer:

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.