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构型配分函数的简化计算与讨论
引用本文:钟寿仙,闫志学,卢贵武.构型配分函数的简化计算与讨论[J].云南师范大学学报(自然科学版),2009,29(2):54-56.
作者姓名:钟寿仙  闫志学  卢贵武
作者单位:中国石油大学(北京)数理系,北京,102249
摘    要:统计物理教材中分子构型配分函数的计算,一般是将双矢量积分化简为单矢量积分。文章对该双矢量积分进行了详细推导,并采用Lennard—Jones势模型进行数值计算,分析讨论了构型配分函数简化计算的适用范围。

关 键 词:构型配分函数  矢量积分  简单计算  作用势

The Calculation and Discussion about the Simplification of Configuration Partition Function
SHOU Xian-zhong,ZHI Xue-yan,GUI Wu-lu.The Calculation and Discussion about the Simplification of Configuration Partition Function[J].Journal of Yunnan Normal University (Natural Sciences Edition),2009,29(2):54-56.
Authors:SHOU Xian-zhong  ZHI Xue-yan  GUI Wu-lu
Institution:SHOU Xian - zhong, ZHI Xue -yan, GUI Wu - lu ( Department of Mathematics & physics, China University of Petroleum (Beijing) , Beijing, 102249, China)
Abstract:In statistical physics lectures, the calculation of the configuration partition function of molecule is simplified from double vectors integral to single vector integral. We deduce in detail the double vectors integral formula in this paper. The potential model of Lennard - Joncs is introduced and the numerical computation results are obtained, from which the simplification of the configuration partition function of molecule is analyzed and discussed.
Keywords:The configuration partition function  vector integral  he simplified calculation  the molecular interaction potential
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