papers
Publications (6)
cond-mat.mtrl-sci2007
Energies of ions in water and nanopores within Density Functional Theory
Kevin Leung, Martijn Marsman
cond-mat.str-el2018
Charge self-consistent many-body corrections using optimized projected localized orbitals
Malte Schüler, Oleg E. Peil, Gernot J. Kraberger +5
cond-mat.str-el2015
Anisotropic Magnetic Couplings and Structure-Driven Canted to Collinear Transitions in Spin-orbit Coupled Sr2IrO4
Peitao Liu, Sergii Khmelevskyi, Bongjae Kim +6
cond-mat.mtrl-sci2014
Electronic structure and energy level schemes of RE3+:LaSi3N5 and RE2+:LaSi3N5-xOx phosphors (RE= Ce, Pr, Nd, Pm, Sm, Eu) from first principles
Ismail A. M. Ibrahim, Zoltan Lences, Pavol Sajgalik +2
cond-mat.mtrl-sci2010
The multiferroic phase of DyFeO$_{3}$:an ab--initio study
Alessandro Stroppa, Martijn Marsman, Georg Kresse +1
cond-mat.mtrl-sci2013
Determining the Anisotropic Exchange Coupling of CrO_2 via First-Principles Density Functional Theory Calculations
H. Sims, S. J. Oset, W. H. Butler +2