南阳师范学院学报2012,Vol.11Issue(6):29-33,5.
NaCl晶体马德隆常数理论研究
Theoretical investigation on the Madelung constant of NaCl crystal
摘要
Abstract
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.关键词
NaCl晶体/马德隆常数/Evjen晶胞法Key words
NaCl crystal/Madelung constant/Evjen method分类
数理科学引用本文复制引用
田叶,侯春枝,杨兴强..NaCl晶体马德隆常数理论研究[J].南阳师范学院学报,2012,11(6):29-33,5.基金项目
河南省科技厅自然科学基金项目 ()
河南省教育厅自然科学基金项目 ()