PreprintCC BY 4.0arXiv
Reverse Quantum Annealing for Ground-State Energy Calculation in Molecule
Abstract
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.
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BibTeX
@misc{sahoo2026reverse,
title = {{Reverse Quantum Annealing for Ground-State Energy Calculation in Molecule}},
author = {Pradyot Pritam Sahoo},
howpublished = {arXiv},
year = {2026},
month = oct,
doi = {10.48550/arxiv.2610.39129},
eprint = {2610.39129},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2610.39129},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Reverse Quantum Annealing for Ground-State Energy Calculation in Molecule
AU - Pradyot Pritam Sahoo
PY - 2026
DA - 2026/10/29
PB - arXiv
DO - 10.48550/arxiv.2610.39129
UR - https://arxiv.org/abs/2610.39129
AB - 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.
ER -