The fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules are covered in this book. It provides an understanding of the concepts of electronegativity, hardness and softness and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elemental quantum theory.
„Über diesen Titel“ kann sich auf eine andere Ausgabe dieses Titels beziehen.