A geometric construction on the quantum state manifold produces an alternative constrained Schrödinger dynamics that yields new Kohn-Sham schemes for TDDFT on finite lattices.
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Develops a systematic relaxation of ensemble N-representability for 1RDMs with partial information, solved via generalized Horn constraints plus weighted ensemble conditions, yielding a convex polytope for excited-state DFT.
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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Geometric theory of constrained Schr\"odinger dynamics with application to time-dependent density-functional theory on a finite lattice
A geometric construction on the quantum state manifold produces an alternative constrained Schrödinger dynamics that yields new Kohn-Sham schemes for TDDFT on finite lattices.
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Refining ensemble $N$-representability of one-body density matrices from partial information
Develops a systematic relaxation of ensemble N-representability for 1RDMs with partial information, solved via generalized Horn constraints plus weighted ensemble conditions, yielding a convex polytope for excited-state DFT.
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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.