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
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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