Dynamics of classical systems based on the principle of stationary action
Dynamics of classical systems based on the principle of stationary action
复制标题
基于稳态作用原理的经典系统动力学
DOI：
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发表时间：
1990
期刊：
影响因子：
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通讯作者：
N. Adams
中科院分区：
文献类型：
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作者：
A. Banerjee;N. Adams
经典体系的动力学通常涉及在选定的初始构型和最终构型(如反应物和产物状态)之间找到系统的演化路径。我们发展了一种计算这类被称为边值(构型)问题的经典系统动力学的方法。这种方法的基础是将定常作用原理重塑为一种计算上容易处理的形式，这种形式可以应用于各种边界问题。我们证明了除了足够短的路径外，最小作用量的路径并不总是存在的。然而，动作的鞍点可以揭示有趣的动态路径。我们给出了从粒子力学到H+H2→H2+H反应的反应机理的例子。
Dynamics of classical systems often involve finding a path of evolution of the system between chosen initial and final configurations such as reactant and product states. We develop a method for calculating the dynamics of such classical systems posed as boundary value (configurations) problems. This method is based on recasting the principle of stationary action into a computationally tractable form which can be applied to a wide variety of boundary problems. We demonstrate that a path of minimum action does not always exist except for a short enough path. However, saddle points of the action can reveal interesting dynamical pathways. We give examples from particle mechanics and applications to reaction mechanisms for the H+H2→H2+H reaction.