Application of Quantum Annealing to Computation of Molecular Properties
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arXiv
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| Main Authors: | , , |
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| Format: | Preprint |
| Published: |
2025
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| _version_ | 1866915655377223680 |
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| author | Sahoo, Pradyot Pritam Prasannaa, V. S. Das, B. P. |
| author_facet | Sahoo, Pradyot Pritam Prasannaa, V. S. Das, B. P. |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2508_12779 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Application of Quantum Annealing to Computation of Molecular Properties Sahoo, Pradyot Pritam Prasannaa, V. S. Das, B. P. Quantum Physics Atomic Physics Chemical Physics 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. |
| title | Application of Quantum Annealing to Computation of Molecular Properties |
| topic | Quantum Physics Atomic Physics Chemical Physics |
| url | https://arxiv.org/abs/2508.12779 |