受限高分子链的量子力学方法
A Quantum-mechanical Approach for Constrained Macromolecular Chains
摘要：
在室温左右的热平衡下，许多三维受限大分子链的方法是基于受限经典哈密顿动力学（cCHDa）。量子力学方法（QMa）也被不同的研究人员处理了几十年。QMa解决了一个基本问题（约束与不确定原理），并且是通用的：它们也产生经典描述（可能与cCHDa的描述不一致，尽管它们可能在某些相关量上一致）。未决问题包括QMa是否具有与cCHDa不同和/或改善cCHDa的足够的实际后果。我们将简要介绍cCHDa，并通过概述旧方法和关注最近的方法来处理QMa。
英文摘要：
Many approaches to three-dimensional constrained macromolecular chains at thermal equilibrium, at about room temperatures, are based upon constrained Classical Hamiltonian Dynamics (cCHDa). Quantum-mechanical approaches (QMa) have also been treated by different researchers for decades. QMa address a fundamental issue (constraints versus the uncertainty principle) and are versatile: they also yield classical descriptions (which may not coincide with those from cCHDa, although they may agree for certain relevant quantities). Open issues include whether QMa have enough practical consequences which differ from and/or improve those from cCHDa. We shall treat cCHDa briefly and deal with QMa, by outlining old approaches and focusing on recent ones.
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