Abstract:
The review presents the main mathematical results necessary for processing vibrational spectroscopy data and calculating molecular force fields within the framework of the theory of regularization of nonlinear ill-posed problems in the joint analysis of data obtained by vibrational spectroscopy and other structural methods using the results of quantum mechanical calculations.
Keywords:
ill-posed inverse problems.
Received: 26.11.2024
Document Type:
Article
UDC:517.983
Language: Russian
Citation:
G. M. Kuramshina, A. G. Yagola, “Nonlinear inverse problems of vibrational spectroscopy”, Num. Meth. Prog., 25, special issue (2024), 62–81