Oscar Grånäs
Oscar Grånäs
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Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
Multipole decomposition of LDA+ U energy and its application to actinide compounds
F Bultmark, F Cricchio, O Grånäs, L Nordström
Physical Review B 80 (3), 035121, 2009
Itinerant magnetic multipole moments of rank five as the hidden order in URu 2 Si 2
F Cricchio, F Bultmark, O Grånäs, L Nordström
Physical review letters 103 (10), 107202, 2009
Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: Methodology and applications
O Grånäs, ID Marco, P Thunström, L Nordström, O Eriksson, T Björkman, ...
Comput. Mater. Sci. 55, 295, 2012
Exchange parameters of strongly correlated materials: Extraction from spin-polarized density functional theory plus dynamical mean-field theory
YO Kvashnin, O Grånäs, ID Marco, MI Katsnelson, AI Lichtenstein, ...
Phys. Rev. B 91, 125133, 2015
Real-time TD-DFT with classical ion dynamics: Methodology and applications
G Kolesov, O Grånäs, R Hoyt, D Vinichenko, E Kaxiras
Journal of Chemical Theory and Computation 12 (2), 466-476, 2016
Analytic continuation by averaging Pad\'e approximants
J Schött, ILM Locht, E Lundin, O Grånäs, O Eriksson, ID Marco
Physical Review B 93, 075104, 2016
Establishing the limits of efficiency of perovskite solar cells from first principles modeling
O Grånäs, D Vinichenko, E Kaxiras
Scientific Reports 6, 36108, 2016
The elk FP-LAPW code
K Dewhurst, S Sharma, L Nordstrom, F Cricchio, F Bultmark, O Grånäs, ...
ELK, http://elk.sourceforge. net, 2016
Low spin moment due to hidden multipole order from spin-orbital ordering in LaFeAsO
F Cricchio, O Grånäs, L Nordström
Physical Review B 81 (14), 140403, 2010
Large magnetic anisotropy of Fe 2 P investigated via ab initio density functional theory calculations
M Costa, O Grånäs, A Bergman, P Venezuela, P Nordblad, M Klintenberg, ...
Physical Review B 86 (8), 085125, 2012
Microscopic picture of Co clustering in ZnO
D Iuºan, M Kabir, O Grånäs, O Eriksson, B Sanyal
Physical Review B 79 (12), 125202, 2009
Inhomogeneity in Co doped ZnO diluted magnetic semiconductor
B Sanyal, R Knut, O Grånäs, DM Iuºan, O Karis, O Eriksson
Journal of Applied Physics 103 (7), 07D131, 2008
Electronic structure, cohesive properties, and magnetism of SrRuO 3
O Grånäs, I Di Marco, O Eriksson, L Nordström, C Etz
Physical Review B 90 (16), 165130, 2014
Theoretical study of the Mo–Ru sigma phase
O Grånäs, PA Korzhavyi, AE Kissavos, IA Abrikosov
Calphad 32 (1), 171-176, 2008
Thermodynamics of ordered and disordered phases in the binary Mo-Ru system
AE Kissavos, S Shallcross, L Kaufman, O Grånäs, AV Ruban, ...
Physical Review B 75 (18), 184203, 2007
Adaptive smearing for Brillouin zone integration
T Björkman, O Grånäs
International Journal of Quantum Chemistry 111 (5), 1025-1030, 2011
Correlation effects and orbital magnetism of Co clusters
L Peters, I Di Marco, O Grånäs, E ªaºıoğlu, A Altun, S Rossen, C Friedrich, ...
Physical Review B 93 (22), 224428, 2016
Electronic and Magnetic Properties of single Fe atoms on a CuN Surface; Effects of Electron Correlations
SK Panda, I Di Marco, O Grånäs, O Eriksson, J Fransson
Physical Review B 93, 140101(R), 2016
Electronic structure of Co doped ZnO: Theory and experiment
B Sanyal, O Grånäs, R Knut, VA Coleman, P Thunström, DM Iuºan, ...
Journal of Applied Physics 103 (7), 07D130, 2008
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