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cond-mat.mtrl-sci2019★ 51 cited
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…
cond-mat.str-el2019★ 57 cited
Coupled-cluster impurity solvers for dynamical mean-field theory
Tianyu Zhu, Carlos A. Jimenez-Hoyos, James McClain +2
We describe the use of coupled-cluster theory as an impurity solver in dynamical mean-field theory (DMFT) and its cluster extensions. We present numerical results at the level of c…