Fixman M
Department of Chemistry, Yale University, New Haven, Connecticut 06520.
Proc Natl Acad Sci U S A. 1974 Aug;71(8):3050-3. doi: 10.1073/pnas.71.8.3050.
A classical system of mass points subject to holonomic constraints has a kinetic energy dependent on the coordinates as well as the moments of the remaining degrees of freedom. Coordinate averages formed in the reduced space of unconstrained coordinates and their conjugate momenta then involve a metric determinant that may be difficult to evaluate. A theorem is derived that permits a relatively easy evaluation when the constraints are distances between particles, and an application is made to a Kramers type freely jointed chain.
一个受完整约束的经典质点系具有依赖于坐标以及其余自由度的动量的动能。在无约束坐标及其共轭动量的约化空间中形成的坐标平均值,随后涉及一个可能难以计算的度规行列式。当约束是粒子间的距离时,推导了一个允许相对容易计算的定理,并将其应用于一个克拉默斯型自由连接链。