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Effects of a quantum crystal potential on the derivation of electron gas interionic energies

 

作者: E. Francisco,   J.M. Recio,   M.A. Blanco,   A.Martín Pendás,   L. Pueyo,  

 

期刊: Radiation Effects and Defects in Solids  （Taylor Available online 1995）
卷期: Volume 134, issue 1-4  

页码: 197-200

 

ISSN:1042-0150

 

年代: 1995

 

DOI:10.1080/10420159508227213

 

出版商: Taylor & Francis Group

 

关键词: Localized quantum mechanical methods;electron gas model;interionic potentials;ionic crystals

 

数据来源: Taylor

 

摘要:

Taking the NaCl crystal as a test example, we analyze the performance of the Electron Gas model of Gordon and Kim with ionic electron densities obtained from the localized quantum-mechanical descriptions of the ions embedded in a quantum crystal potential. We also rationalize the potential answers of rigid and relaxed interionic potentials in terms of the charge densities used in their derivation.

 

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