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Page 1
Reproducibility in density functional theory calculations of solids.
Lejaeghere K, Bihlmayer G, Björkman T, Blaha P, Blügel S, Blum V, Caliste D, Castelli IE, Clark SJ, Dal Corso A, de Gironcoli S, Deutsch T, Dewhurst JK, Di Marco I, Draxl C, Dułak M, Eriksson O, Flores-Livas JA, Garrity KF, Genovese L, Giannozzi P, Giantomassi M, Goedecker S, Gonze X, Grånäs O, Gross EK, Gulans A, Gygi F, Hamann DR, Hasnip PJ, Holzwarth NA, Iuşan D, Jochym DB, Jollet F, Jones D, Kresse G, Koepernik K, Küçükbenli E, Kvashnin YO, Locht IL, Lubeck S, Marsman M, Marzari N, Nitzsche U, Nordström L, Ozaki T, Paulatto L, Pickard CJ, Poelmans W, Probert MI, Refson K, Richter M, Rignanese GM, Saha S, Scheffler M, Schlipf M, Schwarz K, Sharma S, Tavazza F, Thunström P, Tkatchenko A, Torrent M, Vanderbilt D, van Setten MJ, Van Speybroeck V, Wills JM, Yates JR, Zhang GX, Cottenier S. Lejaeghere K, et al. Among authors: schlipf m. Science. 2016 Mar 25;351(6280):aad3000. doi: 10.1126/science.aad3000. Science. 2016. PMID: 27013736 Free article.
Hybrid functionals and GW approximation in the FLAPW method.
Friedrich C, Betzinger M, Schlipf M, Blügel S, Schindlmayr A. Friedrich C, et al. Among authors: schlipf m. J Phys Condens Matter. 2012 Jul 25;24(29):293201. doi: 10.1088/0953-8984/24/29/293201. J Phys Condens Matter. 2012. PMID: 22773268
Advanced capabilities for materials modelling with Quantum ESPRESSO.
Giannozzi P, Andreussi O, Brumme T, Bunau O, Buongiorno Nardelli M, Calandra M, Car R, Cavazzoni C, Ceresoli D, Cococcioni M, Colonna N, Carnimeo I, Dal Corso A, de Gironcoli S, Delugas P, DiStasio RA Jr, Ferretti A, Floris A, Fratesi G, Fugallo G, Gebauer R, Gerstmann U, Giustino F, Gorni T, Jia J, Kawamura M, Ko HY, Kokalj A, Küçükbenli E, Lazzeri M, Marsili M, Marzari N, Mauri F, Nguyen NL, Nguyen HV, Otero-de-la-Roza A, Paulatto L, Poncé S, Rocca D, Sabatini R, Santra B, Schlipf M, Seitsonen AP, Smogunov A, Timrov I, Thonhauser T, Umari P, Vast N, Wu X, Baroni S. Giannozzi P, et al. Among authors: schlipf m. J Phys Condens Matter. 2017 Nov 22;29(46):465901. doi: 10.1088/1361-648X/aa8f79. Epub 2017 Oct 24. J Phys Condens Matter. 2017. PMID: 29064822 Free article.
Spin-polarized surface state in EuO(100).
Klinkhammer J, Schlipf M, Craes F, Runte S, Michely T, Busse C. Klinkhammer J, et al. Among authors: schlipf m. Phys Rev Lett. 2014 Jan 10;112(1):016803. doi: 10.1103/PhysRevLett.112.016803. Epub 2014 Jan 7. Phys Rev Lett. 2014. PMID: 24483918 Free article.
Dynamic Rashba-Dresselhaus Effect.
Schlipf M, Giustino F. Schlipf M, et al. Phys Rev Lett. 2021 Dec 3;127(23):237601. doi: 10.1103/PhysRevLett.127.237601. Phys Rev Lett. 2021. PMID: 34936783
Melting of Pb Charge Glass and Simultaneous Pb-Cr Charge Transfer in PbCrO3 as the Origin of Volume Collapse.
Yu R, Hojo H, Watanuki T, Mizumaki M, Mizokawa T, Oka K, Kim H, Machida A, Sakaki K, Nakamura Y, Agui A, Mori D, Inaguma Y, Schlipf M, Rushchanskii KZ, Ležaić M, Matsuda M, Ma J, Calder S, Isobe M, Ikuhara Y, Azuma M. Yu R, et al. Among authors: schlipf m. J Am Chem Soc. 2015 Oct 7;137(39):12719-28. doi: 10.1021/jacs.5b08216. Epub 2015 Sep 25. J Am Chem Soc. 2015. PMID: 26374486
14 results