Abstract
A scheme for determination of the local structure parameters of polyatomic systems from experimental shape resonances is suggested. The scheme is considered for the case when there are more unknown parameters than the experimentally determined values. The scheme is tested for determination of geometrical parameters using soft X-ray absorption spectra of N2, NO2, CH3NO2, and solid NaNO2 molecules.
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Additional information
Don State Technical University. Translated fromZhurnal Strukturnoi Khimii, Vol. 39, No. 1, pp. 18–25, January–February, 1998.
This work was supported by RFFR grant No. 96-03-32204a.
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Migal, Y.F. Regularization method for solving the inverse problem in multicenter shape resonance theory. J Struct Chem 39, 14–20 (1998). https://doi.org/10.1007/BF02873819
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DOI: https://doi.org/10.1007/BF02873819