Application of Quantum Annealing to Computation of Molecular Properties

2025/08/18 by Sahoo, Pradyot Pritam, Prasannaa, V. S., Das, B. P.
#Atomic Physics (physics.atom-ph) #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Quantum Physics (quant-ph)

paper · doi:10.48550/arxiv.2508.12779

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.

Citations

• Variational Quantum Annealing for Quantum Chemistry
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Related

• Computing molecular excited states on a D-Wave quantum annealer
• Solving Quantum Chemistry Problems with a D-Wave Quantum Annealer
• Computing the molecular ground state energy in a restricted active space using quantum annealing
• Improving the accuracy of the energy estimation by combining quantum annealing with classical computation
• Quantum annealing: An introduction and new developments