南阳师范学院学报
南暘師範學院學報
남양사범학원학보
JOURNAL OF NANYANG TEACHERS COLLEGE
2012年
6期
29-33
,共5页
NaCl晶体%马德隆常数%Evjen晶胞法
NaCl晶體%馬德隆常數%Evjen晶胞法
NaCl정체%마덕륭상수%Evjen정포법
NaCl crystal%Madelung constant%Evjen method
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.
採用Evjen晶胞法併結閤Matlab軟件編程,研究瞭NaCl晶體的馬德隆常數.計算結果錶明：一維、二維和三維NaCl的馬德隆常數分彆是1.38629,1.6148和1.7475,這與實驗值和其他理論結果符閤得非常好.
채용Evjen정포법병결합Matlab연건편정,연구료NaCl정체적마덕륭상수.계산결과표명：일유、이유화삼유NaCl적마덕륭상수분별시1.38629,1.6148화1.7475,저여실험치화기타이론결과부합득비상호.
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.
