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.Attached Files
Published - 1.5108818.pdf
Submitted - 1905.00886.pdf
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Additional details
- Eprint ID
- 97723
- Resolver ID
- CaltechAUTHORS:20190809-132030089
- Air Force Office of Scientific Research (AFOSR)
- FA9550-18-1-0095
- Department of Energy (DOE)
- DE-SC0017867
- NSF
- DGE-1106400
- Created
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2019-08-09Created from EPrint's datestamp field
- Updated
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2021-11-16Created from EPrint's last_modified field