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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Brief Comments on Perturbation Theory of a Nonsymmetric Matrix: The GF Matrix
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Brief Comments on Perturbation Theory of a Nonsymmetric Matrix: The GF Matrix

机译:简评非对称矩阵的扰动理论:GF矩阵

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Perturbation theory for nonsymmetric matrices is discussed for the GF matrix for molecular vibrations. As a simple extension of early results, two approaches are given: one a direct diagonaliztion of the nonsymmetric matrix, the other a presymmetrization. Presymmetrization of the GF matrix, well knwon for #DELTA#F, is also described here for #DELTA#G. It permits the use of standard perturbation theory for symmetric matrices. Application of the second-order expression for the #DELTA#G case to the frequencies of many ozone isotopomers is given elsewhere.
机译:针对分子振动的GF矩阵,讨论了非对称矩阵的摄动理论。作为早期结果的简单扩展,给出了两种方法:一种是非对称矩阵的直接对角线化,另一种是预对称化。 GF矩阵的预对称化,对于#DELTA#F也已广为人知。它允许对对称矩阵使用标准摄动理论。在其他地方给出了将#DELTA#G情况的二阶表达式应用于许多臭氧同位素异构体的频率的信息。

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