A simple procedure devised to obtain optimized point charges to represent the Madelung potential is reported and applied to six different crystal structures occurring in ionic systems. Their use in ab initio cluster model calculations is discussed through some selected examples and results compared
Model for charged cluster stability based on polyhedral arrangement of point charges
β Scribed by John F. Mahoney; B.E. Kalensher; Julius Perel; Terry D. Lee
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 858 KB
- Volume
- 83
- Category
- Article
- ISSN
- 0168-1176
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