Calculated Electron Affininty for D (Deuterium atom)
Experimental Electron Affinity is 0.75458 ± 0.000087 eV
differences
original data displayed. press to display differences
differences displayed. press to display original data
original data
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
-0.906
density functional
B3LYP
0.205
PBEPBE
-0.058
Moller Plesset perturbation
MP2
-0.296
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.