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Auteurs principaux: Magoulas, Ilias, Evangelista, Francesco A.
Format: Preprint
Publié: 2025
Sujets:
Accès en ligne:https://arxiv.org/abs/2505.02984
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  • One of the open challenges in quantum computing simulations of problems of chemical interest is the proper enforcement of spin symmetry. Efficient quantum circuits implementing unitaries generated by spin-adapted operators remain elusive, while naïve Trotterization schemes break spin symmetry. In this work, we analyze the mathematical structure of spin-adapted operators and derive closed-form expressions for unitaries generated by singlet spin-adapted generalized single and double excitations. These results represent significant progress toward the economical enforcement of spin symmetry in quantum simulations.