S. J. A. van Gisbergen

Chemistry with ADF

G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 10K citations

Natural Sciences, Chemistry, Physics +17

Molecular calculations of excitation energies and (hyper)polarizabilities with a statistical average of orbital model exchange-correlation potentials

P. R. T. Schipper, O. V. Gritsenko, S. J. A. van Gisbergen et al. · The Journal of Chemical Physics · 2000 · 716 citations · Full text

Natural Sciences, Chemistry, Physics +17

Implementation of time-dependent density functional response equations

S. J. A. van Gisbergen, J. G. Snijders, E. J. Baerends · Computer Physics Communications · 1999 · 672 citations

Natural Sciences, Earth Sciences, Physics +11

Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push−Pull π-Conjugated Systems

Benoı̂t Champagne, Éric A. Perpète, Denis Jacquemin et al. · The Journal of Physical Chemistry A · 2000 · 523 citations

Natural Sciences, Chemistry, Physics +15

Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An <i>ab initio</i> investigation of polyacetylene chains

Benoı̂t Champagne, Éric A. Perpète, S. J. A. van Gisbergen et al. · The Journal of Chemical Physics · 1998 · 478 citations · Full text

Natural Sciences, Chemistry, Physics +17