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N-representability problem within the framework of the contracted Schrödinger equation

AuthorsValdemoro, Carmela ; Tel, Luis María; Pérez-Romero, E.
Issue Date2000
PublisherAmerican Physical Society
CitationPhsical Review A 61: 325071- 3250714 (2000)
AbstractA a procedure is proposed by which, in the course of an iterative solution of the second-order contracted Schrödinger equation, The N representability of the second-order reduced density matrix can be tested with increasing stringency. This procedure was suggested by an extended study of the G conditions and from the contraction into the two-electron space of an N-fermion relation, expressing in matrix form the antisymmetry and normalization properties of the N-electron wave function. Several relations are reported.
Identifiersdoi: 10.1103/PhysRevA.61.032507
issn: 1050-2947
Appears in Collections:(CFMAC-IFF) Artículos
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