Nature of the Chemical Bond

Nearly 100 years ago G. N. Lewis proposed a radical theory of the covalent chemical bond based on electron pairs. Since that time, theoretical chemists have dramatically expanded our understanding of the chemical bond in its many varied forms. During the past half century, computational studies have added many new quantitative insights into the nature of the chemical bond. This special issue of The Journal of Chemical Physics, with two important Perspective articles, highlights the advances that have been made in our understanding of the chemical bond in the ground and excited states of molecules.

Guest Editors: Thom H. Dunning, Jr., Mark S. Gordon, and Sotiris S. Xantheas with JCP Editor David Sherrill