Quantum Simulations of Battery Electrolytes with VQE-qEOM and SQD: Active-Space Design, Dissociation, and Excited States of LiPF$_6$, NaPF$_6$, and FSI Salts
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arXiv
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| Main Authors: | Hossain, Sk Mujaffar, Lee, Seung-Cheol, Bhattacharjee, Satadeep |
|---|---|
| Format: | Preprint |
| Published: |
2025
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