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quant-ph2023★ 1 cited
Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems
Nicholas P. Bauman, Bo Peng, Karol Kowalski
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 represe…
quant-ph2020
Towards quantum computing for high-energy excited states in molecular systems: quantum phase estimations of core-level states
Nicholas P. Bauman, Hongbin Liu, Eric J. Bylaska +9
This paper explores the utility of the quantum phase estimation (QPE) in calculating high-energy excited states characterized by promotions of electrons occupying inner energy shel…