QR Decomposition in Least Squares Analysis, with an Application to the Reduction of Rotational Spectra to Molecular Constants
作者:
N. Badowski,
期刊:
Spectroscopy Letters
(Taylor Available online 1987)
卷期:
Volume 20,
issue 4
页码: 365-373
ISSN:0038-7010
年代: 1987
DOI:10.1080/00387018708081557
出版商: Taylor & Francis Group
关键词: rotational constants;QR decomposition;least-squares fit
数据来源: Taylor
摘要:
A QR decomposition and the modification of the Gram-Schmidt method in least-squares analysis are presented, as well as a detailed description of the numerical calculation of the rotational constants. The ordinary least-squares technique with the construction of normal equations and the corrected least-squares technique with QR decomposition are compared. These procedures were tested using well-defined synthetic data and the published microwave data on the CS2. molecule.
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