Calculations on Rydberg Terms of the Water Molecule

Abstract

Calculations are reported on Rydberg series terms of the water molecule and are compared with available experimental data. A one‐center core function is assumed, based on a model of Banyard and March. Trial one‐electron Rydberg functions are assumed to be mutually orthogonal and orthogonal to the core function. The one‐electron energies are obtained from a potential which contains operators for the core electrons. The calculated terms are obtained with an average accuracy of about one percent or less except for lowest members of some series. Variation of terms with respect to screening parameters led to stationary values of terms in all cases.