Regularizing algorithms for solving nonlinear ill-posed problems of vibrational spectroscopyстатья
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Аннотация:Inverse problems of molecular force field calculation arising as a result of data processing in vibrational spectroscopy belong to the class of nonlinear ill-posed problems. In this paper we discuss the main mathematical results obtained within the theory of regularization for solving these problems. Different algorithms on the basis of regularizing methods were proposed for solving nonlinear ill-posed problems of molecular force field calculations and implemented in the software package SPECTRUM.