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Calculated Electron Affininty for K (Potassium atom)

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Experimental Electron Affinity is 0.50147 ± 0.0001 eV
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differences displayed. press to display original data

Electron Affinities in eV
Methods with predefined basis sets
semi-empirical PM3  
PM6  
composite G3B3 0.626
G4 0.485

Electron Affinities in eV
Methods with standard basis sets
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ
hartree fock HF         -0.211           -0.184  
density functional LSDA -3.215     0.897 0.877   0.863          
BLYP         0.350              
B3LYP                     0.456  
M06-2X     0.509                  
PBE1PBE         0.435              
TPSSh         0.487 0.529     0.483      
wB97X-D     0.472   0.451 0.510   0.437     0.459 0.510
B97D3   0.842     0.847 0.929   0.821   0.919    
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ
Moller Plesset perturbation MP2         0.160   0.167       0.090  
MP3           0.310            
MP3=FULL         0.310 0.373            
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ

Electron Affinities in eV
Methods with effective core potentials (select basis sets)
CEP-31G CEP-31G* CEP-121G CEP-121G* LANL2DZ SDD cc-pVTZ-PP aug-cc-pVTZ-PP Def2TZVPP
hartree fock HF           -0.197     -0.184
density functional B3LYP                 0.456
PBEPBE                 0.466
Moller Plesset perturbation MP2                 0.153
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the glossary in section I.C. Predefined means the basis set used is determined by the method.