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
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