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Periodic Electronic Structure Calculations With Density Matrix Embedding Theory
Hung Q. Pham, Matthew R. Hermes, Laura Gagliardi
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured…
Combining symmetry collective states with coupled cluster theory: Lessons from the Agassi model Hamiltonian
Matthew R. Hermes, Jorge Dukelsky, Gustavo E. Scuseria
The failures of single-reference coupled cluster for strongly correlated many-body systems is flagged at the mean-field level by the spontaneous breaking of one or more physical sy…
Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian
Jacob M Wahlen-Strothman, Thomas M. Henderson, Matthew R. Hermes +5
Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is…