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High and Low Frequency Separation Method: Pseudo Exact Force Constants, Compliances and Mean Square Amplitudes

 

作者: AlainJ. P. Alix,  

 

期刊: Spectroscopy Letters  （Taylor Available online 1977）
卷期: Volume 10, issue 10  

页码: 805-814

 

ISSN:0038-7010

 

年代: 1977

 

DOI:10.1080/00387017708065015

 

出版商: Taylor & Francis Group

 

关键词: Molecular vibrations;F, C, ε matrices;High and Low Frequency separation

 

数据来源: Taylor

 

摘要:

The High and Low Frequency Separation (HLFS) method is reformulated in terms of mean square amplitudes and/or in terms of force constants and mean square amplitudes. The obtained equations, in matrix form, may be of use in computing “pseudo exact mean amplitudes” and/or “pseudo-exact force constants” from mean amplitudes.

 

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