Georg Kresse

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Jürgen FurthmüllerFriedrich-Schiller-Universität JenaVerified email at uni-jena.de
Martijn MarsmanUniversity Vienna, Faculty of Physics and Center for Computational Materials ScienceVerified email at univie.ac.at
Cesare FranchiniUniversity of Vienna & University of BolognaVerified email at univie.ac.at
Joachim PaierFriedrich-Alexander-Universität Erlangen-NürnbergVerified email at fau.de
Andreas GrüneisVienna University of TechnologyVerified email at tuwien.ac.at
Edvin LundgrenProfessor, Lund UniversityVerified email at sljus.lu.se
Chris G. Van de WalleProfessor of Materials, University of California, Santa BarbaraVerified email at mrl.ucsb.edu
Friedhelm BechstedtProfessor für Festkörpertheorie, Friedrich Schiller Universität JenaVerified email at ifto.physik.uni-jena.de
Maxim ShishkinKyoto UniversityVerified email at kyoto-u.ac.jp
Peitao LiuUniversity of ViennaVerified email at univie.ac.at
Anders mikkelsenProfessor, Department of Physics, Lund UniversityVerified email at sljus.lu.se
Pascal RaybaudIFP Energies nouvellesVerified email at ifpen.fr
Anderson JanottiUniversity of DelawareVerified email at udel.edu
János G. ÁngyánCRM2 CNRS & Université de LorraineVerified email at univ-lorraine.fr
Jiri KlimesResearcher (academic), Faculty of Mathematics and Physics, Charles University, PragueVerified email at karlov.mff.cuni.cz
Menno BokdamUniversity of TwenteVerified email at utwente.nl
Ulrike DieboldTU Wien / Vienna University of TechnologyVerified email at iap.tuwien.ac.at
Ryosuke JinnouchiToyota Central R&D Labs., Inc.Verified email at mosk.tytlabs.co.jp
Carla VerdiUniversity of QueenslandVerified email at uq.edu.au
Dipankar Das Sarma (D D Sarma)Indian Institute of ScienceVerified email at iisc.ac.in

Georg Kresse

University of Vienna, Faculty of Physics, Professor for Computational Quantum Mechanics

Verified email at univie.ac.at - Homepage

density functional theory first principles calculations many body theory condensed matter physics materials science


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set G Kresse, J Furthmüller Physical review B 54 (16), 11169, 1996	97981	1996
From ultrasoft pseudopotentials to the projector augmented-wave method G Kresse, D Joubert Physical review b 59 (3), 1758, 1999	69606	1999
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set G Kresse, J Furthmüller Computational materials science 6 (1), 15-50, 1996	60798	1996
Ab initio molecular dynamics for liquid metals G Kresse, J Hafner Physical review B 47 (1), 558, 1993	41130	1993
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium G Kresse, J Hafner Physical Review B 49 (20), 14251, 1994	20627	1994
Ab initio molecular dynamics for open-shell transition metals G Kresse, J Hafner Physical Review B 48 (17), 13115, 1993	7243	1993
Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements G Kresse, J Hafner Journal of Physics: Condensed Matter 6 (40), 8245, 1994	4591	1994
Linear optical properties in the projector-augmented wave methodology M Gajdoš, K Hummer, G Kresse, J Furthmüller, F Bechstedt Physical Review B 73 (4), 045112, 2006	2843	2006
Screened hybrid density functionals applied to solids J Paier, M Marsman, K Hummer, G Kresse, IC Gerber, JG Ángyán The Journal of chemical physics 124 (15), 2006	2481	2006
Screened hybrid density functionals applied to solids J Paier, M Marsman, K Hummer, G Kresse, IC Gerber, JG Ángyán The Journal of chemical physics 124 (15), 2006	2481	2006
First-principles calculations for point defects in solids C Freysoldt, B Grabowski, T Hickel, J Neugebauer, G Kresse, A Janotti, ... Reviews of modern physics 86 (1), 253, 2014	2255	2014
Furthmüller, J1: CAS: 528: DyaK28XmtFWgsrk% 3D: Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. vol. 6 G Kresse Comput Mater Sci, 15-50, 1996	1583	1996
Defect energetics in ZnO: A hybrid Hartree-Fock density functional study F Oba, A Togo, I Tanaka, J Paier, G Kresse Physical Review B 77 (24), 245202, 2008	1432	2008
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	1299*	2016
Software vasp, vienna, 1999; g. kresse, j. furthmüller G Kresse Phys. Rev. B 54 (11), 169, 1996	1243	1996
Self-consistent calculations for semiconductors and insulators M Shishkin, G Kresse Physical Review B 75 (23), 235102, 2007	1024	2007
J Comp Mat Sci 6: 15–50 Blöchl PE (1994) Phys Rev B 50: 17953–17979 Kresse G G Kresse, J Furthmüller Joubert D (1999) Phys Rev B 59, 1758-1775, 1996	996	1996
Implementation and performance of the frequency-dependent method within the PAW framework M Shishkin, G Kresse Physical Review B 74 (3), 035101, 2006	986	2006
The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set J Paier, R Hirschl, M Marsman, G Kresse The Journal of chemical physics 122 (23), 2005	911	2005
Fully unconstrained noncollinear magnetism within the projector augmented-wave method D Hobbs, G Kresse, J Hafner Physical Review B 62 (17), 11556, 2000	867	2000

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