37 citations · 39 across the 4 of their papers we have counts for
4 papers
Ground-state properties of metallic solids from ab initio coupled-cluster theory
Verena A. Neufeld, Hong-Zhou Ye, Timothy C. Berkelbach
Metallic solids are a challenging target for wavefunction-based electronic structure theories and have not been studied in great detail by such methods. Here, we use coupled-cluste…
Tight distance-dependent estimators for screening two-center and three-center short-range Coulomb integrals over Gaussian basis functions
Hong-Zhou Ye, Timothy C. Berkelbach
We derive distance-dependent estimators for two-center and three-center electron repulsion integrals over a short-range Coulomb potential, . These es…
Fast periodic Gaussian density fitting by range separation
Hong-Zhou Ye, Timothy C. Berkelbach
We present an efficient implementation of periodic Gaussian density fitting (GDF) using the Coulomb metric. The three-center integrals are divided into two parts by range-separatin…
Self-consistent Møller-Plesset Perturbation Theory For Excited States
Hong-Zhou Ye, Troy Van Voorhis
In quantum chemistry, obtaining a system's mean-field solution and incorporating electron correlation in a post Hartree-Fock (HF) manner comprise one of the standard protocols for…