• Title of article

    Linear inequalities for density matrices: IV Factorizations

  • Author/Authors

    Davidson، نويسنده , , Ernest R.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2013
  • Pages
    4
  • From page
    28
  • To page
    31
  • Abstract
    Diagonal linear inequalities for variable-N ensembles were reported by McRae in his thesis involving up to seven orbitals simultaneously. Many of these were reported in a simple factored form. Starting with inequalities involving six orbitals there were several which could not be factored. Here we report a general method for writing any inequality of this type as a linear combination of average values of squares of operators.
  • Keywords
    inequalities , Variable-N ensemble , Slater hull , Factored form
  • Journal title
    Computational and Theoretical Chemistry
  • Serial Year
    2013
  • Journal title
    Computational and Theoretical Chemistry
  • Record number

    2286020