Quantum simulations of chemistry in first quantization with any basis set

Abstract Quantum computation of the energy of molecules and materials is one of the most promising applications of fault-tolerant quantum computers. Practical applications require development of quantum algorithms with reduced resource requirements. Previous work has mainly focused on quantum algori...

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Bibliographic Details
Main Authors: Timothy N. Georges, Marius Bothe, Christoph Sünderhauf, Bjorn K. Berntson, Róbert Izsák, Aleksei V. Ivanov
Format: Article
Language:English
Published: Nature Portfolio 2025-04-01
Series:npj Quantum Information
Online Access:https://doi.org/10.1038/s41534-025-00987-1
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