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Application of Quantum Annealing to Computation of Molecular Properties
Pradyot Pritam Sahoo, V. S. Prasannaa, B. P. Das·August 18, 2025
Quantum PhysicsAtomic Physicsphysics.chem-ph
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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.