Perspectives in electronic structure theory
Pt. 1. Foundations of quantum mechanics -- pt. 2. Theories of electronic structure -- pt. 3. Insights from information theory -- pt. 4. Chemical concepts for molecular structure and reactivity.
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| Format: | UnknownFormat |
| Sprache: | eng |
| Veröffentlicht: |
Berlin, Heidelberg u.a.
Springer
2012
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| Schlagworte: | |
| Online Zugang: | Inhaltstext Inhaltsverzeichnis Cover |
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| Zusammenfassung: | Pt. 1. Foundations of quantum mechanics -- pt. 2. Theories of electronic structure -- pt. 3. Insights from information theory -- pt. 4. Chemical concepts for molecular structure and reactivity. Part 1.FOUNDATIONS OF QUANTUM MECHANICS -- Sources -- Mathematical Apparatus -- Basic Concepts and Axioms -- Hydrogen-Like Atom -- Part 2.THEORIES OF ELECTRONIC STRUCTURE -- Approximating Molecular Schrödinger Equation -- Wave Function Methods -- Density Functional Theory -- Part 3.INSIGHTS FROM INFORMATION THEORY -- Elements of Information Theory -- Schrödinger Equations from Information Principles -- Electron Density as Carrier of Information -- Bonded Atoms from Information Theory -- Orbital Communication Theory of the Chemical Bond -- Part 4.CHEMICAL CONCEPTS FOR MOLECULAR STRUCTURE AND REACTIVITY -- Alternative Perspectives in Chemical Theories -- Coupling Between Electronic and Geometrical Structures -- Qualitative Approaches to Reactivity Phenomena. |
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| Beschreibung: | Literaturangaben |
| Beschreibung: | XIX, 718 S. graph. Darst |
| ISBN: | 3642201792 3-642-20179-2 9783642201790 978-3-642-20179-0 |