2 papers
cond-mat.str-el2021
Constructing Hubbard Models for the Hydrogen Chain using Sliced Basis DMRG
Randy C. Sawaya, Steven R. White
Sliced-basis DMRG(sb-DMRG) is used to simulate a chain of hydrogen atoms and to construct low-energy effective Hubbard-like models. The downfolding procedure first involves a chang…
cond-mat.str-el2019
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…