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Molecular Vibrations as a Variational Problem

 

作者: K.Razi Naqvi,   S.J. Cyvin,  

 

期刊: Spectroscopy Letters  （Taylor Available online 1984）
卷期: Volume 17, issue 2  

页码: 137-143

 

ISSN:0038-7010

 

年代: 1984

 

DOI:10.1080/00387018408068051

 

出版商: Taylor & Francis Group

 

关键词: Variational principle;Molecular vibrations;PCl3

 

数据来源: Taylor

 

摘要:

The variation method applied to linear combinations is formulated in terms of matrix notation. Analogies with the matrices G and F of molecular vibrations are pointed out. The analogy is used to derive variational properties of the vibrational frequencies. The two-dimensional case is treated in particular and illustrated numerically by the totally symmetrical vibrations of PC13.

 

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