• Title of article

    Large-scale matrix diagonalization methods by direct optimization of Taylor expansion of Rayleigh–Ritz quotient up to third order

  • Author/Authors

    Bofill، نويسنده , , Josep Maria and Ribeiro Moreira، نويسنده , , Ibério de Pinho and Anglada، نويسنده , , Josep Maria and Illas، نويسنده , , Francesc، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2000
  • Pages
    8
  • From page
    160
  • To page
    167
  • Abstract
    Large-scale matrix diagonalization methods by direct optimization of Taylor expansion of Rayleigh–Ritz quotient up to third order are presented. Some applications of the quadratic and cubic algorithms, focused in lowest, higher and degenerate roots are discussed and analyzed. The performances of the methods are similar to the Lagrange–Newton–Raphson diagonalization method.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2000
  • Journal title
    Chemical Physics Letters
  • Record number

    1773445