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cond-mat.mtrl-sci2011★ 1k cited
BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures
Jack Deslippe, Georgy Samsonidze, David A. Strubbe +3
BerkeleyGW is a massively parallel computational package for electron excited-state properties that is based on the many-body perturbation theory employing the ab initio GW and GW…
cond-mat.mtrl-sci2011★ 61 cited
Quasiparticle Excitations and Charge Transition Levels of Oxygen Vacancies in Hafnia
Manish Jain, James R. Chelikowsky, Steven G. Louie
We calculate the quasiparticle defect states and charge transition levels of oxygen vacancies in monoclinic hafnia. The charge transition levels, although they are thermodynamic qu…