This work implements the Quantum Annealer Eigensolver (QAE) algorithm to solve the molecular electronic Hamiltonian eigenvalue-eigenvector problem on a D-Wave 2000Q quantum annealer. The approach uses a power-of-two encoding scheme and is hardware-dominant, relying on only one classically optimized parameter. The authors demonstrate its use for obtaining ground and excited electronic states across various small molecular systems and suggest its adaptability for use by many electronic structure methods. The results encourage further development of software like qbsolv for solving large optimization problems.
Publisher
Scientific Reports
Published On
Nov 27, 2020
Authors
Alexander Teplukhin, Brian K. Kendrick, Sergei Tretiak, Pavel A. Dub
Tags
Quantum Annealer
Eigensolver
Hamiltonian
molecular systems
quantum computing
ground states
optimization
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