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

Calculated Electron Affininty for As (Arsenic atomic)

Experimental Electron Affinity is 0.814 ± 0.008 eV
original data displayed. press to display differences
differences displayed. press to display original data

Electron Affinities in eV
Methods with predefined basis sets
composite G3B3 0.773

Electron Affinities in eV
Methods with standard basis sets
6-31G* 6-31+G** 6-31G(2df,p) cc-pVTZ aug-cc-pVTZ
hartree fock HF -0.954        
density functional B3LYP     0.176    
TPSSh 0.081 0.766   0.545  
Moller Plesset perturbation MP3   -0.550      
MP3=FULL -0.542 0.194      
MP4         0.642
B2PLYP       0.457  
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.