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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, and G. Kresse. J. Chem. Phys., 122 (23): 234102 (2005)
DOI: 10.1063/1.1926272

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Günter Kreße

Hans Paul Kreßel

Günter Kreße

Günter Kreße

Klaus Kreße

Other publications of authors with the same name

Direct View at Excess Electrons in $TiO_2$ Rutile and AnataseM. Setvin, C. Franchini, X. Hao, M. Schmid, A. Janotti, M. Kaltak, C. Van de Walle, G. Kresse, and U. Diebold. Phys. Rev. Lett., 113 (8): 086402 (August 2014)Why does the B3LYP hybrid functional fail for metals?J. Paier, M. Marsman, and G. Kresse. J. Chem. Phys., 127 (2): 024103 (2007)The Perdew--Burke--Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis setJ. Paier, R. Hirschl, M. Marsman, and G. Kresse. J. Chem. Phys., 122 (23): 234102 (2005)Fast iterative interior eigensolver for millions of atoms.G. Jordan, M. Marsman, Y. Kim, and G. Kresse. J. Comput. Phys., 231 (14): 4836-4847 (2012)Minimax Isometry Method.M. Kaltak, and G. Kresse. CoRR, (2019)Nonrad: Computing nonradiative capture coefficients from first principles.M. Turiansky, A. Alkauskas, M. Engel, G. Kresse, D. Wickramaratne, J. Shen, C. Dreyer, and C. de Walle. Comput. Phys. Commun., (2021)Maximizing Application Performance in a Multi-core, NUMA-Aware Compute Cluster by Multi-level Tuning.G. Shainer, P. Lui, M. Hilgeman, J. Layton, C. Stevens, W. Stemple, S. Schultz, G. Ludden, J. Mora, and G. Kresse. ISC, volume 7905 of Lecture Notes in Computer Science, page 226-238. Springer, (2013)Behavior of Methylammonium Dipoles in MAPbX3 (X = Br and I)S. Govinda, B. Kore, M. Bokdam, P. Mahale, A. Kumar, S. Pal, B. Bhattacharyya, J. Lahnsteiner, G. Kresse, C. Franchini and 2 other author(s). The Journal of Physical Chemistry Letters, 8 (17): 4113-4121 (2017)PMID: 28812901.Hybrid functionals applied to rare-earth oxides: The example of ceriaJ. Da Silva, M. Ganduglia-Pirovano, J. Sauer, V. Bayer, and G. Kresse. Phys. Rev. B, 75 (4): 045121 (January 2007)Structure of the Ultrathin Aluminum Oxide Film on NiAl(110)G. Kresse, M. Schmid, E. Napetschnig, M. Shishkin, L. Kohler, and P. Varga. Science, 308 (5727): 1440-1442 (2005)

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Disambiguation of "Kresse, Georg"

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The Perdew--Burke--Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set

Please choose a person to relate this publication to

Günter Kreße

Hans Paul Kreßel

Günter Kreße

Günter Kreße

Klaus Kreße

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Kresse, Georg"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML The Perdew--Burke--Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set

Please choose a person to relate this publication to

Günter Kreße

Hans Paul Kreßel

Günter Kreße

Günter Kreße

Klaus Kreße

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
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history of this post
URL
DOI
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APA
Chicago
DIN 1505
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The Perdew--Burke--Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set