100 citations
3 papers
physics.chem-ph2019★ 7 cited
Green's Function Coupled Cluster Simulation of the Near-valence Ionizations of DNA-fragments
Bo Peng, Karol Kowalski, Ajay Panyala +1
Accurate description of the ionization process in DNA is crucial to the understanding of the DNA damage under exposure to ionizing radiation, and the exploration of the potential a…
physics.comp-ph2019★ 21 cited
Approximate Green's Function Coupled Cluster Method Employing Effective Dimension Reduction
Bo Peng, Roel Van Beeumen, David B. Williams-Young +2
The Green's function coupled cluster (GFCC) method is a powerful many-body tool for computing the electronic structure of molecular and periodic systems, especially when electrons…
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…