• Title of article

    REGULARIZING ALGORITHMS FOR SOLVING NONLINEAR ILL-POSED PROBLEMS OF VIBRATIONAL SPECTROSCOPY

  • Author/Authors

    Kuramshina, G.M. Department of Physical Chemistry - Faculty of Chemistry - Lomonosov Moscow State University Moscow, Russia , Yagola, A.G. Department of Mathematics - Faculty of Physics - Lomonosov Moscow State University Moscow, Russia

  • Pages
    23
  • From page
    14
  • To page
    36
  • Abstract
    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 regular- ization 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.
  • Keywords
    inverse problem , nonlinear ill-posed problem , theory of regularization , vibrational spectra , molecular force field
  • Journal title
    Eurasian Journal of Mathematical and Computer Applications
  • Serial Year
    2016
  • Full Text URL
    drive.google.com/file/d/0B2IhUwjYFHEBMDRtZ1hGTXdkRDg/view
  • Record number

    2601216

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=2601216