Calculated Electron Affininty for Zn (Zinc atom)
Electron Affinities in eV
Methods with predefined basis sets
semi-empirical |
PM3 |
|
Electron Affinities in eV
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 |
|
|
|
|
|
|
|
|
-1.334 |
density functional |
B3LYP |
|
|
|
|
|
|
|
|
-1.072 |
PBEPBE |
|
|
|
|
|
|
|
|
-1.041 |
Moller Plesset perturbation |
MP2 |
|
|
|
|
|
|
|
|
-1.256 |
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.