Publication Date:
2013-06-25
Description:
Author(s): Falco Hüser, Thomas Olsen, and Kristian S. Thygesen We present a plane-wave implementation of the G 0 W 0 approximation within the projector augmented wave method code gpaw . The computed band gaps of ten bulk semiconductors and insulators deviate on average by 0.2 eV (∼5%) from the experimental values, the only exception being ZnO where the calculated b... [Phys. Rev. B 87, 235132] Published Mon Jun 24, 2013
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics