Chem. J. Chinese Universities ›› 1995, Vol. 16 ›› Issue (10): 1602.

• Articles • Previous Articles     Next Articles

Electron Structure and Absorption Spectrum of Ion Cluster CoF64-in Crystal of LiF and MgF2by Ab Initio

SHI Shou-Heng   

  1. Elementary Educational Department, Dalian College of Light Industry, Dalian, 116034
  • Received:1994-10-31 Revised:1995-04-20 Online:1995-10-24 Published:1995-10-24

Abstract: Absorption spectrum of ion cluster CoF64-in crystal LiF and MgF2 was calculated by using ab initio calculation method.The calculated results coincided with experimental data, and show that it is workable to take CoF64-in Madelung field of ion crystals of LiF and MgF2as theoretical model to calculate its absorption spectrum, An indistinction in absorption spectrum term classified in literature was clarified.

Key words: Absorption spectrum, CoF64-, Ab initio calculation.

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