Quantum simulation of realistic materials in first quantization using non-local pseudopotentials

Abstract This paper improves and demonstrates the usefulness of the first quantized plane-wave algorithms for the quantum simulation of electronic structure. We describe our quantum algorithm for first quantized simulation that accurately includes pseudopotentials. We focus on the Goedecker-Tetter-H...

Celý popis

Podrobná bibliografie

Hlavní autoři:	Dominic W. Berry, Nicholas C. Rubin, Ahmed O. Elnabawy, Gabriele Ahlers, A. Eugene DePrince, Joonho Lee, Christian Gogolin, Ryan Babbush
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Nature Portfolio 2024-12-01
Edice:	npj Quantum Information
On-line přístup:	https://doi.org/10.1038/s41534-024-00896-9
Tagy:	Přidat tag Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!