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Beyond DFT

Publications

Graphics Processing Unit acceleration of the Random Phase Approximation in the projector augmented wave method.Jun Yan, Lin Li, Christopher O’Grady. Computer Physics Communications. 2013
Thermionic current densities from first principles.Johannes Voss, Aleksandra Vojvodic, Sharon H. Chou, Roger T. Howe, Igor Bargatin, Frank Abild-Pedersen. The Journal of Chemical Physics. 2013
Formation energies of group I and II metal oxides using random phase approximation.Jun Yan, Jens S. Hummelshøj, Jens K. Nørskov. Physical Review B. 2013
Conventional and acoustic surface plasmons on noble metal surfaces: A time-dependent density functional theory study.Jun Yan, Karsten W. Jacobsen, Kristian S. Thygesen. Physical Review B. 2012
Optical properties of bulk semiconductors and graphene/boron-nitride: The Bethe-Salpeter equation with derivative discontinuity-corrected DFT energies.Jun Yan, Karsten W. Jacobsen, Kristian S. Thygesen. arXiv.org. 2012