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

2019; American Institute of Physics; Volume: 151; Issue: 6 Linguagem: Inglês

10.1063/1.5108818

1520-9032

Xiaojie Wu, Zhi‐Hao Cui, Yu Tong, Michael Lindsey, Garnet Kin‐Lic Chan, Lin Lin,

Advanced Condensed Matter Physics

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 density matrix embedding theory (p-DMET), which achieves self-consistency without needing to optimize a correlation potential. We demonstrate the performance of p-DMET on the two-dimensional Hubbard model.