采用Evjen晶胞法并结合Matlab软件编程,研究了NaCl晶体的马德隆常数.计算结果表明:一维、二维和三维NaCl的马德隆常数分别是1.38629,1.6148和1.7475,这与实验值和其他理论结果符合得非常好.%The Madelung constants of NaCl crystal have been investigated by using the Evjen method and combining the Matlab programs.Theoretical results show that the one-dimensional,two-dimensional and three-dimensional Madelung constants of NaCl crystal are 1.38629,1.6148 and 1.7475,respectively.The calculated values are generally speaking in good agreement with experiments and similar theoretical calculations.
展开▼