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提出并证明了一个适用于六角密堆(hcp)结构的Mbius变换公式.从晶体中原子的结合能出发,利用这个公式可以得到具有hcp结构的晶体中原子间的相互作用对势.作为例子,利用这一方法计算了镁的对势.In this paper a Mbius inversion transform formula is proposed and proved for a crystal with hcp structure.By the use of the formula the pair potential can be converted from the cohesive energy.As an example,the pair potential in magnesium is calculated and discussed.







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