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arXiv · 2508.12779

Application of Quantum Annealing to Computation of Molecular Properties

Pradyot Pritam Sahoo·V. S. Prasannaa·B. P. Das
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Abstract

We present the results of our quantum annealing computations of the permanent electric dipole moments of several molecules. By applying an electric field as a perturbation and measuring the corresponding energy responses, the molecular electric dipole moments are obtained numerically through the finite field method. The ground-state electronic wavefunctions and energies are obtained using the quantum annealer eignsolver algorithm. This work provides a pathway for the computation of molecular properties in the quantum annealing paradigm.

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Pradyot Pritam Sahoo, V. S. Prasannaa, B. P. Das. 2025-08-18. Application of Quantum Annealing to Computation of Molecular Properties. https://arxiv.org/abs/2508.12779

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