Gaussian wavefunctions in a semicontinuum model for solvated electrons

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Abstract
Gaussian wavefunctions have been compared with previously used hydrogenic wavefunctions in a semicontinuum model for solvated electrons. Although the Gaussian function eliminates the physically unreal cusp associated with a hydrogenic function there is little significant difference in the total energies and optical transition energies calculated with the two functions. The most significant difference is that the fraction of charge density enclosed within a given radius is greater for Gaussian than for hydrogenic functions.