R. Boyd et al., INVERSION OF ABSORPTION SPECTRAL DATA FOR RELAXATION MATRIX DETERMINATION - I - APPLICATION TO LINE MIXING IN THE 106[-000-OVERTONE TRANSITION OF HCN, The Journal of chemical physics, 108(2), 1998, pp. 392-401
A new method of extracting the relaxation matrix directly from absorpt
ion spectral data is formulated and applied to R-branch line mixing in
HCN. The formulation makes use of a general iterative inversion algor
ithm based upon first-order sensitivity analysis and Tikhonov regulari
zation. The recovered relaxation matrices describe line mixing much be
tter than those derived from the fitting laws currently in use, and th
e inversion algorithm usually converges within just three iterations.
This formulation presents the first known method for extracting the im
aginary, off-diagonal elements of the relaxation matrix. (C) 1998 Amer
ican Institute of Physics.