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Research PaperResearchia:202603.16035[Chemistry > Chemistry]

Is the matrix completion of reduced density matrices unique?

Gustavo E. Massaccesi

Abstract

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 computational cost. However, matrix completion is, in general, an under-determined problem. Revisiting Rosina's theorem [M. Rosina, Queen's Papers on Pure and Applied Mathematics No. 11, 369 (1968)], 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.


Source: arXiv:2603.13087v1 - http://arxiv.org/abs/2603.13087v1 PDF: https://arxiv.org/pdf/2603.13087v1 Original Link: http://arxiv.org/abs/2603.13087v1

Submission:3/16/2026
Comments:0 comments
Subjects:Chemistry; Chemistry
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arXiv: This paper is hosted on arXiv, an open-access repository
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Is the matrix completion of reduced density matrices unique? | Researchia