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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.