Application of quantum annealing to computation of molecular properties
Phys. Rev. A 113, 062808 – Published 16 June, 2026
DOI: https://doi.org/10.1103/7np1-njdc
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 wave functions 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.
