Density-functional Theory of Atoms And Molecules - Rilegato

Parr, Robert G.; Yang Weitao; Yang, Weitao

Rilegato

ISBN 10: 0195042794 ISBN 13: 9780195042795

Casa editrice: Oxford Univ Pr, 1989

Riassunto

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.

Su questa edizione

• Editore: Oxford Univ Pr
• Data di pubblicazione: 1989
• ISBN 10: 0195042794
• ISBN 13: 9780195042795
• Rilegatura: Copertina rigida
• Numero di pagine: 350