摘要
用经典的和量子的方法分别讨论了非简谐效应对晶体热膨胀的影响,并应用量子力学的超位力定理(HVT)和赫尔曼-费恩曼(Hellman-Feynman)定理(HFT)导出了线膨胀系数各级近似的代数公式。列举了典型实例,计算了线膨胀系数的表达式,并且和经典的方法进行了比较,从其表达式可以看出它们近似相等且用量子的方法计算更精确一些。
The influences of nonharmonic effect on lattice thermal expansion are separately discussed by using classical and quantum means ,and the all levels approximative algebra formula on linear expansion coefficient are educed by using hypervirial theorem（HVT）and Hellmann-Feynman theorem（HFT）. Typical examples are illustrated and compared with the classical means,the results show that they are approximately equal from these expression and it is more accurate to use the quantum means.
出处
《太原理工大学学报》
CAS
北大核心
2008年第1期104-106,110,共4页
Journal of Taiyuan University of Technology
关键词
热膨胀
线膨胀系数
微扰理论
代数公式
thermal expansion
linear expansion coefficient
perturbation theory
algebra for- mula
