| Description |
1 online resource (318 pages) |
| Contents |
Introduction of Probability Concepts in Physics -- Does God Play Dice? -- The Electron Density -- Atoms in Molecules -- Density Functional Approach to the Electronic Structure of Matter -- Density-Functional Approximations for Exchange and Correlation -- An Understanding of the Origin of Chemical Reactivity from a Conceptual DFT Approach -- Electron Density and Molecular Similarity -- Electrostatic Potentials and Local Ionization Energies in Nanomaterial Applications -- Probing Electron Dynamics with the Laplacian of the Momentum Density -- Applications of Modern Density Functional Theory to Surfaces and Interfaces |
| Summary |
"Electron density is one of the fundamental concepts underpinning modern chemistry, and this book presents a conceptual treatment of the subject with equal emphasis on computational and philosophical questions. Beginning with the use of probabilities in statistical physics and the origins of quantum mechanics, the conceptual and statistical framework developed is employed to treat quantum entanglement, Bader's theory of atoms in molecules, open systems, and the theory of insulators. Employing a coherent and logical structure, the book is accessible to students and faculty working in chemistry and computational materials science"-- |
|
"This book presents a conceptual treatment of electron density with equal emphasis on computational and philosophical questions in a coherent and logically connected manner consisting of foundations, analysis, and applications"-- |
| Notes |
Includes index |
| Bibliography |
Includes bibliographical references and index |
| Notes |
Also available in printing |
|
Mode of access: World Wide Web |
|
System requirements: Internet connectivity, World Wide Web browser, and Adobe Acrobat |
| Subject |
Electron distribution.
|
| Form |
Electronic book
|
| Author |
Sukumar, N., 1957- editor of compilation
|
| LC no. |
2012033608 |
| ISBN |
0470769009 (hardback) |
|
1118431715 (electronic bk.) |
|
1118431723 |
|
1118431731 |
|
111843174X (electronic bk.) |
|
1283608782 (MyiLibrary) |
|
9780470769003 |
|
9781118431719 (electronic bk.) |
|
9781118431726 |
|
9781118431733 |
|
9781118431740 (electronic bk.) |
|
9781283608787 (MyiLibrary) |
|
