ELF: The Electron Localization Function

摘要

The chemical bond is always considered from different points of view, depending on the classes of compounds or on the chemical and physical aspects to be examined. In both cases, descriptions of the chemical bond are chosen that are appropriate for the particular research or application. Therefore, there are significant differences in the understanding as what constitutes chemical bonding. This is acceptable in practice but proves to be a hindrance for true interdisci-plinarity. The concept of the chemical bond offers a firm basis upon which to forge links not only within chemistry put also to all related sciences. The general desire, and the growing necessity for interdisciplinary collaboration requires a careful treatment of these concepts and, ifpossible, a tightening and standardization to a level that is widely acceptable and beneficial. In the age of tremendously fast development of computers and computer science, we believe that the electron localization function (ELF) provides a new description of the chemical bond for almost all classes of Compounds. Its graphical language earns it the ultimate qualification for enhanced interdisciplinarity.