Spin‐Dependent operators in the spin‐free quantum chemistry | Zendy

Mestechkin M. M. | Zendy; Klimko G. T. | Zendy

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Spin‐Dependent operators in the spin‐free quantum chemistry

Author(s) -

Mestechkin M. M.,

Klimko G. T.

Publication year - 1978

Publication title -

international journal of quantum chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.484

H-Index - 105

eISSN - 1097-461X

pISSN - 0020-7608

DOI - 10.1002/qua.560130503

Subject(s) - wave function , representation (politics) , spin (aerodynamics) , fock space , density matrix , matrix (chemical analysis) , function (biology) , quantum mechanics , chemistry , quantum chemistry , matrix representation , physics , quantum , group (periodic table) , computational chemistry , molecule , thermodynamics , supramolecular chemistry , chromatography , evolutionary biology , politics , biology , political science , law

The 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 S N group are calculated.

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