Is the Matrix Completion of Reduced Density Matrices Unique?
Reduced density matrices are central to describing observables in many-body quantum systems. In electronic structure theory, the two-particle reduced density matrix (2-RDM) suffices to determine the energy and other key properties. Recent work has used matrix completion, leveraging the low-rank structure of RDMs and approximate theoretical models, to reconstruct the 2-RDM from partial data and thus reduce the computational cost. However, matrix completion is, in general, an under-determined problem. Revisiting Rosina's theorem (Rosina, M. <i>Queen's Papers on Pure and Applied Mathematics</i>, 1968, No. 11, 369), we here show that the matrix completion is unique under certain conditions, identifying the subset of 2-RDM elements that enables its exact reconstruction from incomplete information. Building on this, we introduce a hybrid quantum-stochastic algorithm that achieves exact matrix completion, demonstrated through applications to the Fermi-Hubbard model.
Authors
- Gustavo E. Scuseria (ORCID: https://orcid.org/0000-0002-4635-8126)
- Juan E. Peralta (ORCID: https://orcid.org/0000-0003-2849-8472)
- Luis Laín (ORCID: https://orcid.org/0000-0002-7260-049X)
- Gustavo E. Massaccesi (ORCID: https://orcid.org/0000-0001-7390-5255)
- Ofelia B. Oña (ORCID: https://orcid.org/0000-0002-2482-5109)
- Diego R. Alcoba (ORCID: https://orcid.org/0000-0001-5165-1127)
- Alicia Torre
Institutions
- Central Michigan University (US)
- University of the Basque Country (ES)
- Universidad de Buenos Aires (AR)
- Department of Physics, Mathematics and Informatics (BY)
- Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (AR)
- Fundación Ciencias Exactas y Naturales (AR)
- Rice University (US)
Publication Details
- Journal
- The Journal of Physical Chemistry Letters
- Published
- 2026-03-13
- DOI
- https://doi.org/10.1021/acs.jpclett.6c00296
- Primary Topic
- Matrix Theory and Algorithms
- Type
- article
- Field-Weighted Citation Impact
- 0.00