A simple algorithm for calculating the electronic vibrational energy levels of polyatomic molecules is proposed which is suitable for widespread practical application. This approach is based on using natural coordinates and averaging the matrix of the kinematic coefficients in the kinetic energy operator. This makes it possible to exclude the nondifferential term, which greatly complicates the mathematical procedure, from this operator.

中文翻译：

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平均动能算符平均计算自然坐标中多原子分子电子振动能级的算法的可能简化

提出了一种计算多原子分子电子振动能级的简单算法，适用于广泛的实际应用。该方法基于使用自然坐标并在动能算子中平均运动系数矩阵。这使得可以从该算子中排除极大简化了数学过程的非微分项。