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
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
Journal title :
Computational and Theoretical Chemistry