Quantum algorithm for electronic band structures with local tight-binding orbitals

Abstract While the main thrust of quantum computing research in materials science is to accurately measure the classically intractable electron correlation effects due to Coulomb repulsion, designing optimal quantum algorithms for simpler problems with well-understood solutions is a useful tactic to...

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Bibliographic Details
Main Authors: Kyle Sherbert, Anooja Jayaraj, Marco Buongiorno Nardelli
Format: Article
Language:English
Published: Nature Portfolio 2022-06-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-022-13627-x