This article is cited in 1 paper

Methods and algorithms of computational mathematics and their applications

Nonlinear inverse problems of vibrational spectroscopy

G. M. Kuramshina^a, A. G. Yagola<sup>b

a</sup> Lomonosov Moscow State University, Faculty of Chemistry
^b Lomonosov Moscow State University, Faculty of Physics

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.

UDC: 517.983

Received: 26.11.2024

DOI: 10.26089/NumMet.2024s05