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...
| Published in: | npj Quantum Information |
|---|---|
| Main Authors: | Dominic W. Berry, Nicholas C. Rubin, Ahmed O. Elnabawy, Gabriele Ahlers, A. Eugene DePrince, Joonho Lee, Christian Gogolin, Ryan Babbush |
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-12-01
|
| Online Access: | https://doi.org/10.1038/s41534-024-00896-9 |
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