• Title of article

    Density functional calculations for polymers and clusters – progress and limitations

  • Author/Authors

    Jones، نويسنده , , R.O and Ballone، نويسنده , , P، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2001
  • Pages
    6
  • From page
    1
  • To page
    6
  • Abstract
    The applicability of density functional (DF) methods has progressed greatly since the first workshop of this series ten years ago. Applications that show both the successes and the limitations can be found in the fields of: (a) the structures of the isomers of atomic clusters, and (b) the structure of organic molecules and polymers, and their reactions with additional molecules. We shall review some of the results and the lessons to be learned from them.
  • Journal title
    Computational Materials Science
  • Serial Year
    2001
  • Journal title
    Computational Materials Science
  • Record number

    1679084