• Title of article

    Recursion method for electronic structure calculations Original Research Article

  • Author/Authors

    E. Lorin، نويسنده , , G. Zérah، نويسنده ,

  • Issue Information
    دوهفته نامه با شماره پیاپی سال 2004
  • Pages
    8
  • From page
    39
  • To page
    46
  • Abstract
    We present a new recursion method based on the Trotter formula for the electronic structure calculations of molecules or solids. The proposed method has the feature to be more effective at high temperatures in contrast with direct calculations methods (real space or plane waves methods).
  • Keywords
    Planewave method , Lanczos , Trotter formula , Density functional theory
  • Journal title
    Computer Physics Communications
  • Serial Year
    2004
  • Journal title
    Computer Physics Communications
  • Record number

    1136276