R. Boyd et al., DETERMINATION OF DIABATIC COUPLING POTENTIALS FROM THE INVERSION OF LABORATORY INELASTIC-SCATTERING DATA - APPLICATION TO C4-]C2++HE2+(+HE), The Journal of chemical physics, 106(16), 1997, pp. 6548-6551
Experimental inelastic cross section data are used to successfully rec
over the diabatic coupling potential for the C4+ +He system via a gene
ral iterative inversion algorithm based on first-order functional sens
itivity analysis and Tikhonov regularization, The coupling potential w
as found to converge to a curve with a distinctly different shape from
that of an earlier fitted-parameter model potential. Grass sections c
alculated from the new potential reproduce the relative heights and sh
apes of the peaks in the experimental cross sections much better than
those obtained from the parametrized potential. (C) 1997 American Inst
itute of Physics.