Inversion of absorption spectral data for relaxation matrix determination. I. Application to line mixing in the 106←000 overtone transition of HCN

Robert Boyd; Tak San Ho; Herschel Rabitz; Daniele Romanini; Kevin Lehmann

doi:10.1063/1.475400

Inversion of absorption spectral data for relaxation matrix determination. I. Application to line mixing in the 106←000 overtone transition of HCN

Robert Boyd, Tak San Ho, Herschel Rabitz, Daniele Romanini, Kevin Lehmann

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4 Scopus citations

Abstract

A new method of extracting the relaxation matrix directly from absorption spectral data is formulated and applied to R-branch line mixing in HCN. The formulation makes use of a general iterative inversion algorithm based upon first-order sensitivity analysis and Tikhonov regularization. The recovered relaxation matrices describe line mixing much better than those derived from the fitting laws currently in use, and the inversion algorithm usually converges within just three iterations. This formulation presents the first known method for extracting the imaginary, off-diagonal elements of the relaxation matrix.

Original language	English (US)
Pages (from-to)	392-401
Number of pages	10
Journal	Journal of Chemical Physics
Volume	108
Issue number	2
DOIs	https://doi.org/10.1063/1.475400
State	Published - Jan 8 1998

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.475400

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abstract = "A new method of extracting the relaxation matrix directly from absorption spectral data is formulated and applied to R-branch line mixing in HCN. The formulation makes use of a general iterative inversion algorithm based upon first-order sensitivity analysis and Tikhonov regularization. The recovered relaxation matrices describe line mixing much better than those derived from the fitting laws currently in use, and the inversion algorithm usually converges within just three iterations. This formulation presents the first known method for extracting the imaginary, off-diagonal elements of the relaxation matrix.",

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AU - Rabitz, Herschel

AU - Romanini, Daniele

AU - Lehmann, Kevin

PY - 1998/1/8

Y1 - 1998/1/8

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AB - A new method of extracting the relaxation matrix directly from absorption spectral data is formulated and applied to R-branch line mixing in HCN. The formulation makes use of a general iterative inversion algorithm based upon first-order sensitivity analysis and Tikhonov regularization. The recovered relaxation matrices describe line mixing much better than those derived from the fitting laws currently in use, and the inversion algorithm usually converges within just three iterations. This formulation presents the first known method for extracting the imaginary, off-diagonal elements of the relaxation matrix.

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Inversion of absorption spectral data for relaxation matrix determination. I. Application to line mixing in the 106←000 overtone transition of HCN

Abstract

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