2006 | OriginalPaper | Buchkapitel
INEQUALITIES RELATING THE ELEMENTS OF THE SECOND-ORDER REDUCED DENSITY MATRIX
verfasst von : G. DEZSŐ, I. BÁLINT, I. GYÉMÁNT
Erschienen in: Recent Advances in the Theory of Chemical and Physical Systems
Verlag: Springer Netherlands
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The elements of the second-order reduced density matrix are pointed out to be written exactly as scalar products of specially defined vectors. Our considerations work in an arbitrarily large, but FInite orthonormal basis, and the underlying wave function is a full-CI type wave function. Using basic rules of vector operations, inequalities are formulated without the use of wave function, including only elements of density matrix.