337 citations
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physics.comp-ph2019★ 6 cited
Coupled Cluster Greens function formulations based on the effective Hamiltonians
Nicholas P Bauman, Bo Peng, Karol Kowalski
We demonstrate that the effective Hamiltonians obtained with the downfolding procedure based on double unitary coupled cluster (DUCC) ansatz can be used in the context of Greens fu…
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…
physics.comp-ph2015
Sign learning kink-based (SiLK) quantum Monte Carlo for molecular systems
Xiaoyao Ma, Randall W. Hall, Frank Loffler +4
The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is used to calculate the ab initio ground state energies for multiple geometries of the HO, N, and F$…