Advances in Quantum Chemistry
Academic Press
Published on 17. March 1982
241 pages
978-0-08-058239-9 (ISBN)
Description
Advances in Quantum Chemistry
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Per-Olov Lowden
Advances in Quantum Chemistry: v. 14
Book
12/1981
Academic Press
€69.33
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Content
- Front Cover
- Advances in Quantum Chemistry, Volume 14
- Copyright Page
- Contents
- List of Contributors
- Preface
- Chapter 1. Symmetry Properties of Reduced Density Matrices
- I. Introduction
- II. Spin Symmetry of Reduced Fermion Density Matrices
- III. Orbital Symmetry
- IV. Permutational Symmetry Properties
- V. G -Symmetry
- VI. Symmetry Properties of Natural Orbitals and Geminals
- VII. Calculations of 1- and 2-Matrices of Projected Wave Functions
- VIII. Discussion
- References
- Note Added in Proof
- Chapter 2. Quantum Theory of Atoms in Molecules-Dalton Revisited
- I. Introduction
- II. The Topological Atom
- III. Variational Properties of Open Systems
- IV. Variational Basis for Atomic Properties
- V. Atomic Properties
- VI. Discussion
- References
- Chapter 3. Group Theoretical Techniques and the Many-Electron Problem
- I. Introduction
- II. Spin-Free CI Studies and the Permutation Group
- III. Unitary Group Approaches and Many-Electron Systems
- IV. Conclusion
- References
- Chapter 4. Feshbach Resonances in Chemical Reactions
- I. Introduction
- II. Time-Independent Resonance Theory
- III. Time-Dependent Theory
- IV. Summary
- Appendix A: Symmetry of the Matrix Representation of the Level Shift Operator
- Appendix B: Generation of the Propagation Matrix
- References
- Index
- Contents of Previous Volumes
