DETERMINATION OF DIABATIC COUPLING POTENTIALS FROM THE INVERSION OF LABORATORY INELASTIC-SCATTERING DATA - APPLICATION TO C4-]C2++HE2+(+HE)

Citation
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
Citations number
24
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
106
Issue
16
Year of publication
1997
Pages
6548 - 6551
Database
ISI
SICI code
0021-9606(1997)106:16<6548:DODCPF>2.0.ZU;2-R
Abstract
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.