The coupling between the NH hydrogen inversion and the CNC bending modes of dimethyl-amine (DMA) is analyzed from ab initio calculations. For this purpose, the vibrational Hamiltonian is defined from the symmetry properties of the kinetic and potential operators. The two fundamental frequencies are determined with the Moller-Plesset perturbation theory up to four order (MP4). Calculated band positions are compared with data derived from other models in one dimension that reveal the strong effect of the interaction terms on the inversion bands. The frequencies of two components of the wagging fundamental are obtained to be 794.3 and 793.4 cm(-1) with the two-dimensional model, in good agreement with experimental data. (C) 1996 John Wiley & Sons, Inc. [References: 12]
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机译：从头算计算分析了NH氢转化和二甲基胺（DMA）的CNC弯曲模式之间的耦合。为此，根据动力学和势能算子的对称性质定义振动哈密顿量。两个基本频率由Moller-Plesset微扰理论确定，最高可达4阶（MP4）。将计算出的能带位置与一维中从其他模型获得的数据进行比较，揭示了相互作用项对反演带的强烈影响。二维模型的摆动基波的两个分量的频率分别为794.3和793.4 cm（-1），与实验数据吻合良好。 （C）1996 John Wiley＆Sons，Inc. [参考：12]
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