CALCULATION OF THE BLBTRONZC STRUCTURE AND MAGNETIC HYPERFINB CONTACT TERMS OP INTERSTITIAL HYDROGEN IN ALKALZNE-BARTH FLUORIDES

摘要

The electronic structure of the interstitial hydrogen atom in alkaline-earth fluorides has been studied using the Self Consistent Field Multiple Scattering Xa Method. In the calculations we have used a cluster constituted by the hydrogen atom and its first anion and cation neighbors. The contact parameters with the proton and the fluorine nuclei have been evaluated.