基于酉群的势能曲面代数方法

R. Lemus
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引用次数: 12

摘要

本文综述了基于描述分子振动自由度的酉群的代数方法估计势能面的最新进展。基本思想是在传统方法的背景下引入幺正群方法,其中哈密顿函数在坐标和动量方面展开。在本文的介绍中,提出了几个具有代表性的分子系统,它们可以说明不同的代数方法以及在内部坐标的振动描述中遇到的常见问题。讨论了基于相干态的方法。
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Potential Energy Surfaces Using Algebraic Methods Based on Unitary Groups
This contribution reviews the recent advances to estimate the potential energy surfaces through algebraic methods based on the unitary groups used to describe the molecular vibrational degrees of freedom. The basic idea is to introduce the unitary group approach in the context of the traditional approach, where the Hamiltonian is expanded in terms of coordinates and momenta. In the presentation of this paper, several representative molecular systems that permit to illustrate both the different algebraic approaches as well as the usual problems encountered in the vibrational description in terms of internal coordinates are presented. Methods based on coherent states are also discussed.
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