Fock coordinate function method for separation of spin variables in transition density matrices

G. T. Klimko, M. M. Mestechkin, G. E. Whyman

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

Abstract

The Fock generating function method is employed for the separation of spin variables into two‐particle transition density matrices. Their spatial components introduced by McWeeny are expressed through Schrödinger's coordinate wave functions. Some nontrivial integral relations between these components and the charge and transition spin density matrices are obtained. The interrelation between the mentioned spatial components and the Matsen–Poshusta symmetrized density matrices of an arbitrary spatial function is found.

Original languageEnglish
Pages (from-to)415-428
Number of pages14
JournalInternational Journal of Quantum Chemistry
Volume17
Issue number3
DOIs
StatePublished - Mar 1980
Externally publishedYes

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