Projected density matrix embedding theory with applications to the two-dimensional Hubbard model
Xiaojie Wu, Zhi-Hao Cui, Yu Tong +3 more
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.
arXiv:1905.00886•The Journal of Chemical Physics•Aug 9, 2019•37 citations