• Title of article

    The fitting of potential energy surfaces using neural networks. Application to the study of the photodissociation processes

  • Author/Authors

    Prudente، نويسنده , , Frederico V. and Soares Neto، نويسنده , , J.J.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1998
  • Pages
    5
  • From page
    585
  • To page
    589
  • Abstract
    A back-propagation neural network is utilized to fit potential energy surfaces and the transition dipole moment of the HCl+ ion, using the ab initio electronic energies calculated by Pradhan, Kirby and Dalgarno. These surfaces are used in the study of the photodissociation process. The photodissociation cross section is calculated utilizing the equally spaced discrete variable representation and the negative imaginary potential method.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1998
  • Journal title
    Chemical Physics Letters
  • Record number

    1773232