Advances in Quantum Chemistry
Academic Press
Published on 29. March 1985
337 pages
978-0-08-058242-9 (ISBN)
Description
Advances in Quantum Chemistry
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Per-Olov Lowden
Advances in Quantum Chemistry: v. 17
Book
03/1985
Academic Press
€179.81
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Content
- Front Cover
- Advances in Quantum Chemistry, Volume 17
- Copyright Page
- Contents
- Contributors
- Preface
- Chapter 1. The Theoretical Approach to Some Chemical Problems
- I. General Introduction
- II. The Electronic Structure of Chemical Species
- III. The Thermodynamical Properties of Chemical Species
- IV. The Reactivity of Chemical Species
- V. General Conclusions
- References
- Chapter 2. Modern Aspects of Diatomic Interaction Theory
- I. Introduction
- II. Diatomic Potential Series Expansions
- III. Short-Range Behavior of Diatomic Interactions
- IV. Schrödinger Equation Picture
- V. Padé Approximation of Diatomic Interactions
- VI. Virial Theorem and Its Implications
- VII. Force Concept Analysis for Diatomic Interactions
- VIII. Diatomic Molecular Force Constants
- IX. Momentum-Space Approach to Diatomic Interactions
- X. Density Functional Representation of Diatomic Interactions
- XI. Mathematical Grounds for Fitting Experimental Data: Rydberg-Klein-Rees Approach
- XII. Concluding Remarks
- References
- Chapter 3. Gap Equations and Instabilities for Extended Systems
- I. Introduction
- II. The Fukutome Classes
- III. The Concept of Pairing
- IV. Instabilities
- V. Gap Equations
- VI. Applications
- VII. Beyond the Single-Determinant Approximation
- References
- Chapter 4. Electronic Structure of Conductive Conjugated Systems and Their Physicochemical Properties
- I. Introduction
- II. Polyacetylene
- III. Other Conjugated Systems
- IV. Concluding Remarks
- References
- Chapter 5. Some Aspects on the Hamiltonian and Liouvillian Formalism, the Special Propagator Methods, and the Equation of Motion Approach
- I. Introduction
- II. The Eigenvalue, Problem for the Liouvillian in the Hilbert-Schmidt Theory
- III. Connection between the Binary Products in the Operator Space
- Appendix A. Some Rules for Ket-Bra Operators
- Appendix B. The Order of Linear Independence of Certain Operator Bases
- References
- Index
- Contents of Previous Volumes
