等温等压系综

  • 网络isothermal-isobaric ensemble;isothermal-isobaric
等温等压系综等温等压系综
  1. 根据微正则系综、正则系综、巨正则系综、等温等压系综的概率分布函数推导出各个系综的熵,并且推导出这几种系综的熵可用统一的熵的定义式来表示。

    Every entropy is deduced via the probability distribution functions of microcanonical ensemble , canonical ensemble , grand canonical ensemble and isothermal-isobaric ensemble , and each is formulated as the definition of entropy in these ensembles .

  2. 同时考虑分子的平动与转动自由度,用等温等压系综的路径积分蒙特卡罗方法研究了固体氢的状态方程。

    The path integral Monte Carlo method with a constant pressure ensemble is used to study the equation of state of solid hydrogen with translational and rotational degrees of freedom .