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Published August 14, 2019 | Submitted + Published
Journal Article Open

Projected density matrix embedding theory with applications to the two-dimensional Hubbard model

Abstract

Density matrix embedding theory (DMET) is a quantum embedding theory for strongly correlated systems. From a computational perspective, one bottleneck in DMET is the optimization of the correlation potential to achieve self-consistency, especially for heterogeneous systems of large size. We propose a new method, called projected DMET (p-DMET), which achieves self-consistency without needing to optimize the correlation potential. We demonstrate the performance of p-DMET on the two-dimensional Hubbard model.

Additional Information

© 2019 Published under license by AIP Publishing. Submitted: 2 May 2019; Accepted: 23 July 2019; Published Online: 9 August 2019. This work was partially supported by the Air Force Office of Scientific Research under Award No. FA9550-18-1-0095 (X.W., Z.H.C., G.K.L.C., and L.L.), the Department of Energy under Grant No. DE-SC0017867 (X.W. and L.L.), the Department of Energy CAMERA program (Y.T. and L.L.), and the National Science Foundation Graduate Research Fellowship Program under Grant No. DGE-1106400 (M.L.). We thank Berkeley Research Computing (BRC), Google Cloud Platform (GCP), and Caltech High Performance Computing Center (Caltech HPC) for computing resources.

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Submitted - 1905.00886.pdf

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August 19, 2023
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