Multiscale Embedding for Quantum Computing

We present a novel multi-scale embedding scheme that links conventional QM/MM embedding and bootstrap embedding (BE) to allow simulations of large chemical systems on limited quantum devices. We also propose a mixed-basis BE scheme that facilitates BE calculations on extended systems using classical...

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Bibliographische Detailangaben

Hauptverfasser:	Weisburn, Leah P, Cho, Minsik, Bensberg, Moritz, Meitei, Oinam Romesh, Reiher, Markus, Van Voorhis, Troy
Format:	Artikel
Sprache:	eng
Schlagworte:	Physics - Chemical Physics Physics - Quantum Physics Physics - Strongly Correlated Electrons
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