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

Fuente: arXiv
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Bibliographic Details
Main Authors: Hossain, Sk Mujaffar, Lee, Seung-Cheol, Bhattacharjee, Satadeep
Format: Preprint
Published: 2025
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