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A simple algorithm for the group theoretical classification of quantum states

机译:量子态群理论分类的简单算法

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Here we present a simple and easily handled algorithm for the group theoretical classification of quantum states that although, it is implicit in a general group theory formulation, it is not presented the way it is discussed here, and which facilitates its application by non-specialists. It consists in finding the minimal set; of symmetry operations needed to identify unequivocally the symmetry for each state and a direct calculation of the character of the representation expanded by the vector state. The algorithm allows simple and fast calculations of the symmetry properties, even for large symmetry groups and systems with many degrees of freedom. In particular the occurrence of accidental degeneracy is distinguished clearly using this method. In order to illustrate the application of the method, we discuss the classification of the vibrational states for two different molecular systems. (C) 2002 Elsevier Science Inc. All rights reserved. [References: 16]
机译:在这里,我们为量子态的群理论分类提供了一种简单易用的算法,尽管该算法隐含在一般的群理论表述中,但并未以此处讨论的方式呈现,这有助于非专业人士应用它。 。它在于找到最小集;明确地确定每个状态的对称性和直接计算由矢量状态扩展的表示的特征所需的对称性运算的数量。该算法甚至可以对大型对称组和具有许多自由度的系统进行简单快速的对称性计算。特别是使用这种方法可以清楚地区分偶然发生的退化。为了说明该方法的应用,我们讨论了两种不同分子系统的振动状态分类。 (C)2002 Elsevier Science Inc.保留所有权利。 [参考:16]

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