期刊
JOURNAL OF CHEMICAL PHYSICS
卷 151, 期 6, 页码 -出版社
AIP Publishing
DOI: 10.1063/1.5108818
关键词
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资金
- Air Force Office of Scientific Research [FA9550-18-1-0095]
- Department of Energy [DE-SC0017867]
- Department of Energy CAMERA program
- National Science Foundation Graduate Research Fellowship Program [DGE-1106400]
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. Published under license by AIP Publishing.
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