Abstract
This work applies the shell model to study the behaviour of the internuclear interactions of diatomic alkali halide molecules from data given by the dynamical models for alkali halide crystals. Our interest is to test the breathing shell model when core holes have been introduced. This will provide another source of information on the nature of the interaction potential between anion and cation systems and give insight into the rate of relaxation in determining shifts in Auger and photoelectron spectroscopy.
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