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III.D.6.a. (XVII.D.)

Calculated Electron Affininty for Zn (Zinc atom)


Electron Affinities in eV
Methods with predefined basis sets

Electron Affinities in eV
Methods with standard basis sets
6-31G* 6-31+G** 6-31G(2df,p) cc-pVTZ
hartree fock HF -1.471      
density functional B3LYP     -1.180  
TPSSh -1.085 -0.737   -0.963
Moller Plesset perturbation MP3   -1.642    
MP3=FULL -1.645 -0.995    
B2PLYP       -1.156
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.