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.

 
  • 本文用包含馬德隆(Madelung)勢的電荷自洽EHT(Extended Huckel Theory)研究對離子晶體(LiF,NaCl和KCl)電子結構的計算。
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