Parr Robert G. (EN) — Density-Functional Theory of Atoms and Molecules

Density-Functional Theory of Atoms and Molecules краткое содержание

Density-Functional Theory of Atoms and Molecules - описание и краткое содержание, автор Parr Robert G. (EN), читать бесплатно онлайн на сайте электронной библиотеки Lib-King.Ru.

This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, 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 elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.