Density matrix in the open shell theory

M. M. Mestechkin, G. E. Whyman

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

All the second‐order density matrix spin components for the spin‐projected Slater determinant are presented as expansions in direct products of powers of unprojected spin‐ and residual electron density matrices. Spin components of the second‐order transition density matrices between spin‐projected Slater determinants built of orthogonal orbitals are also obtained.

Original languageEnglish
Pages (from-to)761-773
Number of pages13
JournalInternational Journal of Quantum Chemistry
Volume9
Issue number5
DOIs
StatePublished - Sep 1975
Externally publishedYes

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