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Remarks about the wave‐function representability of the first‐order reduced density matrices
Author(s) -
Löwdin PerOlov
Publication year - 1986
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.560300767
Subject(s) - order (exchange) , function (biology) , wave function , density matrix , set (abstract data type) , matrix (chemical analysis) , mathematical physics , mathematics , chemistry , computational chemistry , physics , pure mathematics , mathematical analysis , quantum mechanics , computer science , finance , evolutionary biology , economics , biology , chromatography , quantum , programming language
It is pointed out that, if {Γ y } is the set of N th‐order density matrices associated with a given first‐order reduced density matrix γ = γ( x 1 | x 1 ), then γ is wave‐function representable, if and only if there is at least one Γ γ for which one has μ = Tr(Γ γ − Γ γ 2 ) = 0.