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arXiv · 2610.39129

Reverse Quantum Annealing for Ground-State Energy Calculation in Molecule

Pradyot Pritam Sahoo
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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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Pradyot Pritam Sahoo. 2026-10-29. Reverse Quantum Annealing for Ground-State Energy Calculation in Molecule. https://arxiv.org/abs/2610.39129

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