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Quantum simulation of two-dimensional quantum chemistry in optical lattices

Javier Argüello-Luengo1,*, Alejandro González-Tudela2,†, Tao Shi3,‡, Peter Zoller4,5, and J. Ignacio Cirac6,7,§

  • 1ICFO-Institut de Ciències Fotòniques, The Barcelona Institute of Science and Technology, E-08860 Castelldefels (Barcelona), Spain
  • 2Instituto de Física Fundamental IFF-CSIC, Calle Serrano 113b, E-28006 Madrid, Spain
  • 3CAS Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, P.O. Box 2735, Beijing 100190, China
  • 4Center for Quantum Physics, University of Innsbruck, A-6020 Innsbruck, Austria
  • 5Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, Innsbruck, Austria
  • 6Max-Planck-Institut für Quantenoptik, Hans-Kopfermann-Straße 1, D-85748 Garching, Germany
  • 7Munich Center for Quantum Science and Technology (MCQST), München, Germany

  • *javier.arguello@icfo.eu
  • †a.gonzalez.tudela@csic.es
  • ‡tshi@itp.ac.cn
  • §ignacio.cirac@mpq.mpg.de
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Phys. Rev. Research 2, 042013(R) – Published 16 October, 2020

DOI: https://doi.org/10.1103/PhysRevResearch.2.042013

Abstract

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 H2+, 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.

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Phys. Rev. Research 2, 042013(R)– Published 16 October, 2020
  • Received 2 March 2020
  • Accepted 21 August 2020
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