Density functional theory of atoms and molecules
 |
|
Описание:
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.Похожие книги
 | Molecular Orbitals and Organic Chemical Reactions, Student Edition Автор: Ian Fleming Год: 2009 |
 | Chemical Hardness Автор: Ralph G. Pearson Год: 2005 |
| CMOS Hotplate Chemical Microsensors Автор: Graf M., Baltes H., Barrettino D. Год: 2007 |
| Chemical Warfare Agents Автор: Romano Год: 2008 |
| Chemical Process and Design Handbook Автор: James Speight Год: 2001 |
| Chemical and Process Design Handbook Автор: James Speight Год: 2001 |