7 citations · 7 across the 1 of their papers we have counts for
5 papers
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…
Efficient Implementation of Ab Initio Quantum Embedding in Periodic Systems: Density Matrix Embedding Theory
Zhi-Hao Cui, Tianyu Zhu, Garnet Kin-Lic Chan
We describe an efficient quantum embedding framework for realistic ab initio density matrix embedding (DMET) calculations in solids. We discuss in detail the choice of orbitals and…
Efficient Formulation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field Theory
Tianyu Zhu, Zhi-Hao Cui, Garnet Kin-Lic Chan
We present an efficient ab initio dynamical mean-field theory (DMFT) implementation for quantitative simulations in solids. Our DMFT scheme employs ab initio Hamiltonians defined f…
Projected Density Matrix Embedding Theory with Applications to the Two-Dimensional Hubbard Model
Xiaojie Wu, Zhi-Hao Cui, Yu Tong +3
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 o…