Semiclassical Statistical Mechanics UMD Physics（半经典统计力学物理UMD格式）.pdf

Semiclassical Statistical Mechanics from Statistical Physics using Mathematica © James J. Kelly, 1996-2002 A classical ensemble is represented by a distribution of points in phase space. Two important theorems, equipartition and virial, are derived from this concept. However, finite classical entropy requires discretization of the phase space using a volume obtained by comparison with quantum mechanical results for prototypical systems. Applications are made to harmonic oscillators, ideal gases, and gases of diatomic molecules. Classical phase space A classical system with f degrees of freedom is described by generalized coordinates q @tD and momenta p @tD i i which satisfy the equations of motion ∑ H ∑ H ° ° qi ÅÅÅÅÅÅÅÅÅÅÅÅ p i =- ÅÅÅÅÅÅÅÅÅÅÅÅ ∑ p i ∑ qi where H H @q1, p 1, ∫, qf , p f , tD is the Hamiltonian function. Each point in the 2 f dimensional phase space represents a different microstate of the system. It is useful to let x 8q1, p 1, ∫, qf , p f represent a point in phase space such that x @tD represents the motion of the system, its trajectory, through phase space. Suppose that A A @x , tD is some property of the system that depends upon the phase-space variables and may also depend explicitly upon time as well. The total time rate