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DFT+U study of defects in bulk rutile TiO(2).
Stausholm-Møller J, Kristoffersen HH, Hinnemann B, Madsen GK, Hammer B. Stausholm-Møller J, et al. Among authors: madsen gk. J Chem Phys. 2010 Oct 14;133(14):144708. doi: 10.1063/1.3492449. J Chem Phys. 2010. PMID: 20950031
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method.
Enkovaara J, Rostgaard C, Mortensen JJ, Chen J, Dułak M, Ferrighi L, Gavnholt J, Glinsvad C, Haikola V, Hansen HA, Kristoffersen HH, Kuisma M, Larsen AH, Lehtovaara L, Ljungberg M, Lopez-Acevedo O, Moses PG, Ojanen J, Olsen T, Petzold V, Romero NA, Stausholm-Møller J, Strange M, Tritsaris GA, Vanin M, Walter M, Hammer B, Häkkinen H, Madsen GK, Nieminen RM, Nørskov JK, Puska M, Rantala TT, Schiøtz J, Thygesen KS, Jacobsen KW. Enkovaara J, et al. Among authors: madsen gk. J Phys Condens Matter. 2010 Jun 30;22(25):253202. doi: 10.1088/0953-8984/22/25/253202. Epub 2010 Jun 10. J Phys Condens Matter. 2010. PMID: 21393795
Comparative study of X-ray charge-density data on CoSb3.
Schmøkel MS, Bjerg L, Larsen FK, Overgaard J, Cenedese S, Christensen M, Madsen GK, Gatti C, Nishibori E, Sugimoto K, Takata M, Iversen BB. Schmøkel MS, et al. Among authors: madsen gk. Acta Crystallogr A. 2013 Nov;69(Pt 6):570-82. doi: 10.1107/S0108767313024458. Epub 2013 Oct 17. Acta Crystallogr A. 2013. PMID: 24132218
58 results