A calculation based upon the many-body Green's function method is employed to obtain the outer shell vertical ionization potentials of the ethane molecule. An extended basis set is employed to represent the approximate optical potential, derived by the functional derivative approach, as well as the one-electron Green's function. The results obtained confirm a2Eg state for the ion arising from the first ionization process.
OUTER SHELL IONIZATION-POTENTIALS FOR ETHANE BY A MANY-BODY GREEN-FUNCTION METHOD
CARRAVETTA V
1981
Abstract
A calculation based upon the many-body Green's function method is employed to obtain the outer shell vertical ionization potentials of the ethane molecule. An extended basis set is employed to represent the approximate optical potential, derived by the functional derivative approach, as well as the one-electron Green's function. The results obtained confirm a2Eg state for the ion arising from the first ionization process.File in questo prodotto:
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