Evert Jan Baerends - researchr alias

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Viewing Publication 1 - 10 from 10

2013

Assessment of density functional methods for reaction energetics: Iridium-catalyzed water oxidation as case studyAndranik Kazaryan, Evert Jan Baerends. jcc, 34(10):870-878, 2013. [doi]

2011

Counterpoise correction is not useful for short and Van der Waals distances but may be useful at long rangeXiao Wei Sheng, Lukasz Mentel, Oleg V. Gritsenko, Evert Jan Baerends. jcc, 32(13):2896-2901, 2011. [doi]

2004

Even-tempered slater-type orbitals revisited: From hydrogen to kryptonDelano P. Chong, Erik Van Lenthe, Stan J. A. van Gisbergen, Evert Jan Baerends. jcc, 25(8):1030-1036, 2004. [doi]

Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysisCélia Fonseca Guerra, Jan-Willem Handgraaf, Evert Jan Baerends, F. Matthias Bickelhaupt. jcc, 25(2):189-210, 2004. [doi]

2003

STO and GTO field-induced polarization functions for H to KrDelano P. Chong, Myrta Grüning, Evert Jan Baerends. jcc, 24(13):1582-1591, 2003. [doi]

Optimized Slater-type basis sets for the elements 1-118Erik Van Lenthe, Evert Jan Baerends. jcc, 24(9):1142-1156, 2003. [doi]

2001

Chemistry with ADFG. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends, Célia Fonseca Guerra, Stan J. A. van Gisbergen, Jaap G. Snijders, T. Ziegler. jcc, 22(9):931-967, 2001. [doi]

2000

The Distributed ASCI Supercomputer ProjectHenri E. Bal, Raoul Bhoedjang, Rutger F. H. Hofman, Ceriel J. H. Jacobs, Thilo Kielmann, Jason Maassen, Rob van Nieuwpoort, John Romain, Luc Renambot, Tim Rühl, Ronald Veldema, Kees Verstoep, Aline Baggio, Gerco Ballintijn, Ihor Kuz, Guillaume Pierre, Maarten van Steen, Andrew S. Tanenbaum, Gerben Doornbos, Desmond Germans, Hans J. W. Spoelder, Evert Jan Baerends, Stan J. A. van Gisbergen, Hamid Afsermanseh, G. Dick van Albada, Adam Belloum, David Dubbeldam, Zeger W. Hendrikse, Louis O. Hertzberger, Alfons G. Hoekstra, Kamil Iskra, Drona Kandhai, Dennis Koelma, Frank van der Linden, Benno J. Overeinder, Peter M. A. Sloot, Piero Spinnato, Dick H. J. Epema, Arjan J. C. van Gemund, Pieter P. Jonker, Andrei Radulescu, Kees van Reeuwijk, Henk J. Sips, Peter M. W. Knijnenburg, Michael S. Lew, Floris Sluiter, Lex Wolters, Hans Blom, Cees de Laat. sigops, 34(4):76-96, 2000. [doi]

The Distributed ASCI Supercomputer ProjectHenri E. Bal, Raoul Bhoedjang, Rutger F. H. Hofman, Ceriel J. H. Jacobs, Thilo Kielmann, Jason Maassen, Rob van Nieuwpoort, John Romain, Luc Renambot, Tim Rühl, Ronald Veldema, Kees Verstoep, Aline Baggio, Gerco Ballintijn, Ihor Kuz, Guillaume Pierre, Maarten van Steen, Andrew S. Tanenbaum, Gerben Doornbos, Desmond Germans, Hans J. W. Spoelder, Evert Jan Baerends, Stan J. A. van Gisbergen, Hamid Afsermanseh, G. Dick van Albada, Adam Belloum, David Dubbeldam, Zeger W. Hendrikse, Louis O. Hertzberger, Alfons G. Hoekstra, Kamil Iskra, Drona Kandhai, Dennis Koelma, Frank van der Linden, Benno J. Overeinder, Peter M. A. Sloot, Piero Spinnato, Dick H. J. Epema, Arjan J. C. van Gemund, Pieter P. Jonker, Andrei Radulescu, Kees van Reeuwijk, Henk J. Sips, Peter M. W. Knijnenburg, Michael S. Lew, Floris Sluiter, Lex Wolters, Hans Blom, Cees de Laat. sigops, 34(4):76-96, 2000. [doi]

Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theoryStan J. A. van Gisbergen, Célia Fonseca Guerra, Evert Jan Baerends. jcc, 21(16):1511-1523, 2000. [doi]

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