Model of a benzene molecule attached to two contacts. Wave function as well as internal current distribution are displayed.

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Introduction

In any branch of science, as our knowledge evolves, vague concepts are replaced by precise theories and mathematics becomes the language to describe experimental results. In this evolution, one of the most remarkable achievements has been the conception of quantum theory. Since its beginnings, some 80 years ago, it has become a cornerstone of modern science. Despite our formal mastery of it, it remains mysterious. Furthermore, even if the fundamental equations are known, no simple route to their solutions can be found in general. One of the unresolved issues is the understanding of the interaction between electrons. Many aspects of chemistry, materials science, biology, and physics can be reduced to the problem of interacting electrons. To this day we continue to discover new phenomena originating from the interaction between electrons. A satisfactory solution to this problem would enable us to advance many fields of science through computer simulations. Electron interaction is the phenomenon around which most electronic structure theory has evolved.

Electronic structure theory group

Matthias Ernzerhof

 

University of Montreal

Department of Chemistry

Pavillon Roger-Gaudry, Bureau C544

2900, boul. Édouard-Montpetit

Montréal Québec, H3T 1J4

Canada

Address:

Phone: +1 (514) 343 7636

E-mail: Matthias.Ernzerhof@UMontreal.ca