1 citations · 3 across the 7 of their papers we have counts for
4 papers · 1 filter
Capturing many-body correlation effects with quantum and classical computing
Karol Kowalski, Nicholas P. Bauman, Guang Hao Low +3
Theoretical descriptions of excited states of molecular systems in high-energy regimes are crucial for supporting and driving many experimental efforts at light source facilities.…
Impact of high-rank excitations on accuracy of the unitary coupled cluster downfolding formalism
Karol Kowalski, Bo Peng, Nicholas P. Bauman
In this paper, we evaluate the accuracy of the Hermitian form of the downfolding procedure utilizing the double unitary coupled cluster Ansatz (DUCC) on the H6 and H8 benchmark sys…
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…
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…