Year: 2023
Type: article
Abstract: Perturbation theory, used in a wide range of fields, is a powerful tool for approximate solutions to complex problems, starting from the exact solution of a related, simpler problem. Advances in quantum computing, especially over the past several years, provide opportunities for alternatives to classical methods. Here, we present a general quantum circuit estimating both the energy and eigenstates corrections that is far superior to the classical version when estimating second-order energy corrections. We demonstrate our approach as applied to the two-site extended Hubbard model. In addition to numerical simulations based on qiskit, results on IBM's quantum hardware are also presented. Our work offers a general approach to studying complex systems with quantum devices, with no training or optimization process needed to obtain the perturbative terms, which can be generalized to other Hamiltonian systems both in chemistry and physics.
Source: Science Advances
Authors: Junxu Li, Barbara A. Jones, Sabre Kais
Language: English
Subfield: Artificial Intelligence
Field: Computer Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $4,500
Awards: G1074653521, G1673814530, QUANTUM COMPUTING ALGORITHMS AND APPLICATIONS FOR COHERENT AND STRONGLY CORRELATED CHEMICAL SYSTEMS, QUANTUM COMPUTING ALGORITHMS AND APPLICATIONS FOR COHERENT AND STRONGLY CORRELATED CHEMICAL SYSTEMS, Near Term Applications of Quantum Machine Learning Techniques to Quantum Chemistry
OpenAlex ID: W4376253932