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

• URL: http://arxiv.org/abs/2303.00087v1
• Date: Tue, 28 Feb 2023 21:16:26 GMT
• Title: Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems
• Authors: Nicholas P. Bauman, Bo Peng, Karol Kowalski
• Abstract summary: We provide an overview of the recent developments of the coupled cluster (CC) downfolding methods. We emphasize the important role of downfolding formalisms in transitioning chemical applications from noisy quantum devices to scalable and error-corrected quantum computers.
• Score: 5.774827369850958
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: 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.

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