Ad van der Avoird

Born April 19, 1943 in Eindhoven, The Netherlands.

Professor of Theoretical Chemistry, University of Nijmegen, The Netherlands.

Email:A.vanderAvoird@theochem.ru.nl
WWW: external link

Member of the Netherlands Royal Academy of Arts and Sciences (1979); Visiting Miller Research Professor, University of California at Berkeley (1992).

Author of:

Important Contributions:

• Early work on the use of cluster and periodic slab models and cluster embedding methods for studying (dissociative) chemisorption on transition-metal surfaces.
• Formulation of (exchange) symmetry-adapted perturbation theory (SAPT) for intermolecular forces. With B. Jeziorski, R. Moszynski and P. E. S. Wormer: implementation and application of SAPT for the ab initio calculation of accurate intermolecular potentials (including three-body forces), and interaction-induced properties.
• First full ab initio treatment of the structure, dynamical, optical and magnetic properties of molecular crystals. With W. Briels and others: development of new lattice dynamics methods for large amplitude motions in such crystals, applicable also to quantum crystals such as solid hydrogen. Extension to physically adsorbed molecular monolayers.
• Development of quantum mechanical methods for multi-dimensional vibration-rotation-tunneling motions in Van der Waals and hydrogen bonded complexes. Calculations of spectra of such complexes and scattering cross sections, with the use of experimental data to test and improve (ab initio) intermolecular potentials. Group theory and theoretical spectroscopy of highly non-rigid systems.
• Theoretical studies of chemical reaction dynamics and photodissociation.