Reinhart Ahlrichs

Born January 16, 1940 in Göttingen, Germany.

Professor of Theoretical Chemistry, University of Karlsruhe, Germany.

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Member of the Akademie Heidelberg (1991–); Editorial Board of “Physical Chemistry Chemical Physics” (1999–).

Author of:

Important Contributions:

• Mathematical properties of Schrödinger operators, behavior of exact wave functions, structure of intermolecular interactions.
• Development and application of methods for molecular electronic structure calculations. Work on the problem of electron correlation culminated in Coupled Pair Functional (CPF) methods. The TURBOMOLE suite of programs, developed in the research group, allows for the ab initio treatment of properties of larger molecules on workstations, e.g. structure, energetics, NMR chemical shifts, dynamic properties.
• Applications to molecules with more than 100 atoms—of all kinds—are mainly carried out in connection with experiments to check, correct and to predict properties of molecules and their existence.