Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theory. - Stan J. A. van Gisbergen; Célia Fonseca Guerra; Evert Jan Baerends (J. Comput. Chem., 2000)

The Distributed ASCI Supercomputer Project. - Henri 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; et al. (ACM SIGOPS Oper. Syst. Rev., 2000)

Chemistry with ADF. - G. te Velde; Friedrich Matthias Bickelhaupt; Evert Jan Baerends; Célia Fonseca Guerra; Stan J. A. van Gisbergen; Jaap G. Snijders; Tom Ziegler (J. Comput. Chem., 2001)

STO and GTO field-induced polarization functions for H to Kr. - Delano P. Chong; Myrta Grüning; Evert Jan Baerends (J. Comput. Chem., 2003)

Optimized Slater-type basis sets for the elements 1-118. - Erik Van Lenthe; Evert Jan Baerends (J. Comput. Chem., 2003)

Even-tempered slater-type orbitals revisited: From hydrogen to krypton. - Delano P. Chong; Erik Van Lenthe; Stan J. A. van Gisbergen; Evert Jan Baerends (J. Comput. Chem., 2004)

Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis. - Célia Fonseca Guerra; Jan-Willem Handgraaf; Evert Jan Baerends; Friedrich Matthias Bickelhaupt (J. Comput. Chem., 2004)

Counterpoise correction is not useful for short and Van der Waals distances but may be useful at long range. - Xiao Wei Sheng; Lukasz Mentel; Oleg V. Gritsenko; Evert Jan Baerends (J. Comput. Chem., 2011)

Assessment of density functional methods for reaction energetics: Iridium-catalyzed water oxidation as case study. - Andranik Kazaryan; Evert Jan Baerends (J. Comput. Chem., 2013)