Necessary and sufficient conditions are established for the N-representability of the universal one-electron reduced density matrix functional, guaranteeing variational upper bounds on the true energy regardless of interparticle repulsion strength.
Reduced density matrix functional theory and a reduced formulation of density functional theory
2 Pith papers cite this work. Polarity classification is still indexing.
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2026 2verdicts
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Collins' conjecture underlying i-DMFT holds for bond-breaking with intra-pair electron redistribution but breaks for heterolytic dissociation and excited states, limiting reliable use to narrow cases.
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Necessary and sufficient conditions for the N-representability of functionals of the one-electron reduced density matrix
Necessary and sufficient conditions are established for the N-representability of the universal one-electron reduced density matrix functional, guaranteeing variational upper bounds on the true energy regardless of interparticle repulsion strength.
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Capturing electron correlation at mean-field cost: Assessment of i-DMFT and the underlying correlation conjecture
Collins' conjecture underlying i-DMFT holds for bond-breaking with intra-pair electron redistribution but breaks for heterolytic dissociation and excited states, limiting reliable use to narrow cases.