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...
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| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-12-01
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| Series: | npj Quantum Information |
| Online Access: | https://doi.org/10.1038/s41534-024-00896-9 |
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