| Chemistry with ADF G Te Velde, FM Bickelhaupt, EJ Baerends, C Fonseca Guerra, ... Journal of Computational Chemistry 22 (9), 931-967, 2001 | 10772 | 2001 |
| Relativistic regular two‐component Hamiltonians E Lenthe, EJ Baerends, JG Snijders The Journal of chemical physics 99 (6), 4597-4610, 1993 | 5286* | 1993 |
| Towards an order-N DFT method C Fonseca Guerra, JG Snijders, G Te Velde, EJ Baerends Theoretical Chemistry Accounts 99, 391-403, 1998 | 4687 | 1998 |
| Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure EJ Baerends, DE Ellis, P Ros Chemical Physics 2 (1), 41-51, 1973 | 4073 | 1973 |
| Relativistic total energy using regular approximations E van Lenthe, EJ Baerends, JG Snijders The Journal of chemical physics 101 (11), 9783-9792, 1994 | 3576 | 1994 |
| Optimized Slater‐type basis sets for the elements 1–118 E Van Lenthe, EJ Baerends Journal of computational chemistry 24 (9), 1142-1156, 2003 | 2941 | 2003 |
| Geometry optimizations in the zero order regular approximation for relativistic effects E Van Lenthe, A Ehlers, EJ Baerends The Journal of chemical physics 110 (18), 8943-8953, 1999 | 2751 | 1999 |
| Numerical integration for polyatomic systems G te Velde, EJ Baerends Journal of Computational Physics 99 (1), 84-98, 1992 | 2276 | 1992 |
| The zero‐order regular approximation for relativistic effects: The effect of spin–orbit coupling in closed shell molecules E Van Lenthe, JG Snijders, EJ Baerends The Journal of chemical physics 105 (15), 6505-6516, 1996 | 1899 | 1996 |
| Kohn‐Sham density functional theory: predicting and understanding chemistry FM Bickelhaupt, EJ Baerends Reviews in computational chemistry, 1-86, 2000 | 1754 | 2000 |
| Exchange-correlation potential with correct asymptotic behavior R Van Leeuwen, EJ Baerends Physical Review A 49 (4), 2421, 1994 | 1745 | 1994 |
| Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis C Fonseca Guerra, JW Handgraaf, EJ Baerends, FM Bickelhaupt Journal of computational chemistry 25 (2), 189-210, 2004 | 1209 | 2004 |
| On the calculation of multiplet energies by the Hartree-Fock-Slater method T Ziegler, A Rauk, EJ Baerends Theoretica chimica acta 43, 261-271, 1977 | 1176 | 1977 |
| Roothaan-Hartree-Fock-Slater atomic wave functions: single-zeta, double-zeta, and extended Slater-type basis sets for 87Fr-103Lr JG Snijders, P Vernooijs, EJ Baerends Atomic Data and Nuclear Data Tables 26 (6), 483-509, 1981 | 947 | 1981 |
| Three‐dimensional numerical integration for electronic structure calculations PM Boerrigter, G Te Velde, JE Baerends International Journal of Quantum Chemistry 33 (2), 87-113, 1988 | 934 | 1988 |
| A quantum chemical view of density functional theory EJ Baerends, OV Gritsenko The Journal of Physical Chemistry A 101 (30), 5383-5403, 1997 | 897 | 1997 |
| Molecular calculations of excitation energies and (hyper) polarizabilities with a statistical average of orbital model exchange-correlation potentials PRT Schipper, OV Gritsenko, SJA van Gisbergen, EJ Baerends The Journal of Chemical Physics 112 (3), 1344-1352, 2000 | 871 | 2000 |
| Implementation of time-dependent density functional response equations SJA Van Gisbergen, JG Snijders, EJ Baerends Computer Physics Communications 118 (2-3), 119-138, 1999 | 801 | 1999 |
| Electronic structure, magnetic properties, ESR, and optical spectra for 2-iron ferredoxin models by LCAO-X. alpha. valence bond theory L Noodleman, EJ Baerends Journal of the American Chemical Society 106 (8), 2316-2327, 1984 | 645 | 1984 |
| Interpretation of the Kohn–Sham orbital energies as approximate vertical ionization potentials DP Chong, OV Gritsenko, EJ Baerends The Journal of Chemical Physics 116 (5), 1760-1772, 2002 | 612 | 2002 |
