Journal
PHYSICAL REVIEW LETTERS
Volume 108, Issue 26, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.108.263002
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Funding
- NSF
- ARO
- Microsoft Corporation
- Dreyfus Foundation
- David-Lucile Packard Foundation
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1152425] Funding Source: National Science Foundation
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We present a constructive solution to the N-representability problem: a full characterization of the conditions for constraining the two-electron reduced density matrix to represent an N-electron density matrix. Previously known conditions, while rigorous, were incomplete. Here, we derive a hierarchy of constraints built upon (i) the bipolar theorem and (ii) tensor decompositions of model Hamiltonians. Existing conditions D, Q, G, T1, and T2, known classical conditions, and new conditions appear naturally. Subsets of the conditions are amenable to polynomial-time computations of strongly correlated systems.
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