The cluster model calculations of the electronic structure for the ionic crystals (LiF, NaCl and KC1) are carried out by means of the charge self-consistent Extended Huckel Theory (EHT) including the Madelung Potential.

• 本文用包含马德隆(Madelung)势的电荷自洽EHT(Extended Huckel Theory)研究对离子晶体(LiF,NaCl和KCl)电子结构的计算。