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Spin‐Dependent operators in the spin‐free quantum chemistry

M. M. Mestechkin, G. T. Klimko · International Journal of Quantum Chemistry · 1978

AbstractThe two‐particle spatial density matrix components introduced by McWeeny are expressed in terms of the Fock coordinate wave function, which is constructed from an arbitrary function of N spatial coordinates. The integral relations for these components are verified. The necessary matrix elements of a standard representation of the SN group are calculated.

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