244 citations · 890 across the 16 of their papers we have counts for
3 papers · 1 filter
Ground-state phase diagram of the three-band Hubbard model from density matrix embedding theory
Zhi-Hao Cui, Chong Sun, Ushnish Ray +3
We determine the ground-state phase diagram of the three-band Hubbard model across a range of model parameters using density matrix embedding theory. We study the atomic-scale natu…
Finite temperature density matrix embedding theory
Chong Sun, Ushnish Ray, Zhi-Hao Cui +3
We describe a formulation of the density matrix embedding theory at finite temperature. We present a generalization of the ground-state bath orbital construction that embeds a mean…
Ground-state properties of the hydrogen chain: insulator-to-metal transition, dimerization, and magnetic phases
Mario Motta, Claudio Genovese, Fengjie Ma +14
Accurate and predictive computations of the quantum-mechanical behavior of many interacting electrons in realistic atomic environments are critical for the theoretical design of ma…