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Calculation of lower bounds to the ground state energy of the C⁺⁺ ion utilizing the technique of reduced density matrices subject to continuously variable N-representability constraints, 1974

 Item — Call Number: MU Thesis Gor
Identifier: b2088648
Abstract

A recently developed theory enabling the construction of density matrices which are expressible in terms of a given spin geminal set and which are a nearly N-representable as possible is discussed.

Calculation of lower bounds to the ground state energy of the C⁺⁺ ion is performed utilizing reduced density matrices subject to the continuously variable N-representability constraint determined by the above mentioned theory.

Dates: 1974