Inversion of absorption spectral data for relaxation matrix determination.: II.: Application to Q-branch line mixing in HCN, C2H2, and N2O

被引:2
作者
Boyd, R [1 ]
Ho, TS [1 ]
Rabitz, H [1 ]
机构
[1] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA
关键词
D O I
10.1063/1.475555
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Experimental absorption spectral data from e-branch line mixing in HCN, C2H2, and N2O are inverted to extract their respective relaxation W matrices. The formulation makes use of a general iterative inversion algorithm based upon first-order sensitivity analysis and Tikhonov regularization. The algorithm, previously applied to R-branch Line mixing in HCN, is reformulated to explicitly require detailed balance for the real, off-diagonal W matrix elements. As with the HCN R-branch case, the W matrices recovered typically were found to describe line mixing much better than those derived from the fitting laws currently in use, and the inversion algorithm usually converged within just three iterations. (C) 1998 American Institute of Physics.
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收藏
页码:1780 / 1793
页数:14
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