NaCl晶体互能的计算

CALCULATION OF MUTUAL ELECTRIC POTENTIAL ENERGY OF NaCl CRYSTAL

针对文献给出的计算某一单个离子与其它所有离子互能的无穷级数公式 ,根据 Na Cl晶体的对称结构 ,得到了该式的通项公式 ;通过对数据的分析 ,发现了一定规律并从数学上进行了证明 ;最后 。

Described NaCl crystal system as an equivalent electricity system from point of view of the spherical symmetry of the electrical characteristic of Na + and Cl - in the NaCl crystal system. The author gave a common formula to calculate mutual electric potential energy and transformed the formula to reduce the calculating complexity on computers. After analysed the result data, the author found a rule and showed it in math. At the end, discussed the limit and error of the calculating results.