分子光谱学的一种自适应代数方法
A symmetry-adapted algebraic approach to molecular spectroscopy
摘要：
本文用一个自适应代数模型研究了D_3h和T_d分子的振动激发。一个系统的程序是用来建立之间的关系的代数和配置空间配方。通过这种方式，我们确定了相互作用项，这些项在以前的振子模型中是不存在的。包含这些新的相互作用导致可靠的光谱预测。我们举例说明了D_3h三原子分子H_3^+、Be_3和Na_3以及T_d分子Be_4和CH_4的计算方法。
英文摘要：
We apply a symmetry-adapted algebraic model to the vibrational excitations in D_3h and T_d molecules. A systematic procedure is used to establish the relation between the algebraic and configuration space formulations. In this way we have identified interaction terms that were absent in previous formulations of the vibron model. The inclusion of these new interactions leads to reliable spectroscopic predictions. We illustrate the method for the D_3h triatomic molecules, H_3^+, Be_3 and Na_3, and the T_d molecules, Be_4 and CH_4.
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