337 citations
- Pacific Northwest National LaboratoryUS46 papers
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Showing 2019 · quant-phShow all
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quant-ph2019★ 40 cited
Quantum simulations of excited states with active-space downfolded Hamiltonians
Nicholas P. Bauman, Guang Hao Low, Karol Kowalski
Many-body techniques based on the double unitary coupled cluster ansatz (DUCC) can be used to downfold electronic Hamiltonians into low-dimensional active spaces. It can be shown t…
quant-ph2019★ 100 cited
Downfolding of many-body Hamiltonians using active-space models: extension of the sub-system embedding sub-algebras approach to unitary coupled cluster formalisms
Nicholas P. Bauman, Eric J. Bylaska, Sriram Krishnamoorthy +3
In this paper we outline the extension of recently introduced the sub-system embedding sub-algebras coupled cluster (SES-CC) formalism to the unitary CC formalism. In analogy to th…