14 citations · 14 across the 1 of their papers we have counts for
3 papers
physics.chem-ph2022★ 14 cited
Periodic Coupled-Cluster Green's Function for Photoemission Spectra of Realistic Solids
Katelyn Laughon, Jason M. Yu, Tianyu Zhu
We present an efficient implementation of coupled-cluster Green's function (CCGF) method for simulating photoemission spectra of periodic systems. We formulate the periodic CCGF ap…
physics.chem-ph2020
Recent developments in the PySCF program package
Qiming Sun, Xing Zhang, Samragni Banerjee +46
PYSCF is a Python-based general-purpose electronic structure platform that both supports first-principles simulations of molecules and solids, as well as accelerates the developmen…
cond-mat.mtrl-sci2019
Electronic structure of bulk manganese oxide and nickel oxide from coupled cluster theory
Yang Gao, Qiming Sun, Jason M. Yu +5
We describe the ground- and excited-state electronic structure of bulk MnO and NiO, two prototypical correlated electron materials, using coupled cluster theory with single and dou…