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Effective Operator of the Coordinate Electric Dipole Moment for the First Triad of Vibrational States of the H2O Molecule

机译:H2O分子振动态第一三重轴的电偶极矩坐标的有效算符。

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摘要

The most simple expression for an effective operator of the coordinate electric dipole moment for the first triad of vibrational states of the H2O molecule in the ground electronic state was obtained in an arbitrary order of perturbation theory as a Taylor series expansion in dynamic variables. The method employed is based on the assumption that the vibrational quasi-degeneracy observed is not accidental but is caused by the presence of a symmetry group for a certain main contribution to the molecular motion under consideration, which is larger than the point group of a molecule.
机译:以任意扰动理论作为动态变量的泰勒级数展开,获得了基态电子态H2O分子振动态的第一个三重态的协调电偶极矩的有效算符的最简单表达式。所采用的方法基于以下假设:观察到的振动准简并不是偶然的,而是由对称基团的存在引起的,该对称基团对所考虑的分子运动有一定的主要贡献,该对称基团大于分子的点基团。

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