XVII
.
C
.1.
Calculated Ionization Energy for D (Deuterium atom)
Experimental Ionization Energy is 13.603 eV
differences
Original data displayed. Press to display differences.
Differences displayed. Press to display original data.
original data
Ionization Energies in eV
Methods with predefined basis sets
Ionization Energies in eV
Methods
with standard
basis sets
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.
