Quantum simulation of two-dimensional quantum chemistry in optical lattices

J Argüello-Luengo, A González-Tudela, T Shi… - Physical Review …, 2020 - APS
Physical Review Research, 2020APS
Benchmarking numerical methods in quantum chemistry is one of the key opportunities that
quantum simulators can offer. Here, we propose an analog simulator for discrete two-
dimensional quantum chemistry models based on cold atoms in optical lattices. We first
analyze how to simulate simple models, such as the discrete versions of H and H 2+, using a
single fermionic atom. We then show that a single bosonic atom can mediate an effective
Coulomb repulsion between two fermions, leading to the analog of molecular hydrogen in …
Benchmarking numerical methods in quantum chemistry is one of the key opportunities that quantum simulators can offer. Here, we propose an analog simulator for discrete two-dimensional quantum chemistry models based on cold atoms in optical lattices. We first analyze how to simulate simple models, such as the discrete versions of H and , using a single fermionic atom. We then show that a single bosonic atom can mediate an effective Coulomb repulsion between two fermions, leading to the analog of molecular hydrogen in two dimensions. We extend this approach to larger systems by introducing as many mediating atoms as fermions, and derive the effective repulsion law. In all cases, we analyze how the continuous limit is approached for increasing optical lattice sizes.
American Physical Society
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