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Application of Quantum Annealing to Computation of Molecular Properties

Quantum Physics 2025-12-08 v2 Atomic Physics Chemical Physics

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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Cite

@article{arxiv.2508.12779,
  title  = {Application of Quantum Annealing to Computation of Molecular Properties},
  author = {Pradyot Pritam Sahoo and V. S. Prasannaa and B. P. Das},
  journal= {arXiv preprint arXiv:2508.12779},
  year   = {2025}
}

Comments

8 pages, 1+1 figures, comments are welcome