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Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems

Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems

来源:Arxiv_logoArxiv
英文摘要

In this manuscript, we provide an overview of the recent developments of the coupled cluster (CC) downfolding methods, where the ground-state problem of a quantum system is represented through effective/downfolded Hamiltonians defined using active spaces. All CC downfolding techniques discussed here are derived from a single-reference exponential ansatz for the ground-state problem. We discuss several extensions of the non-Hermitian and Hermitian downfolding approaches to the time domain and the so-called quantum flows. We emphasize the important role of downfolding formalisms in transitioning chemical applications from noisy quantum devices to scalable and error-corrected quantum computers.

Karol Kowalski、Nicholas P. Bauman、Bo Peng

物理学化学计算技术、计算机技术

Karol Kowalski,Nicholas P. Bauman,Bo Peng.Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems[EB/OL].(2023-02-28)[2025-08-02].https://arxiv.org/abs/2303.00087.点此复制

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