Reverse Quantum Annealing for Ground-State Energy Calculation in Molecule
We present the results of our reverse quantum annealing computations of the ground-state energies of alkaline-earth monofluoride molecules. By partitioning the Dirac--Coulomb electronic Hamiltonian into sub-QUBOs and refining forward-annealing solutions through optimized reverse-annealing schedules, residual configuration errors are systematically minimized. The electronic ground-state wave functions and energies are obtained using the Quantum Annealing Eigensolver algorithm. This work provides a pathway for achieving sub-milliHartree chemical accuracy and advancing molecular electronic structure calculations in the quantum annealing paradigm.
Authors
- P. Sahoo (ORCID: https://orcid.org/0000-0003-4691-9576)
Publication Details
- Journal
- arXiv (Cornell University)
- Published
- 2026-10-29
- DOI
- https://doi.org/10.48550/arxiv.2610.39129
- Primary Topic
- Quantum Computing Algorithms and Architecture
- Type
- preprint