Advances in Quantum Chemistry
Academic Press
Published on 1. January 1967
391 pages
978-0-08-058228-3 (ISBN)
Description
Advances in Quantum Chemistry
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Per-Olov Lowden
Advances in Quantum Chemistry: v. 3
Book
12/1967
Academic Press
€96.72
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Content
- Front Cover
- Advances in Quantum Chemistry, Volume 3
- Copyright Page
- Contents
- List of Contributors
- Preface
- Contents of Previous Volumes
- Chapter 1. Approximate Hartree-Fock Calculations on Small Molecules
- I. Introduction
- II. Computational Technique
- III. Diatomic Molecules
- IV. Polyatomic Molecules
- V. Discussion
- References
- Chapter 2. Single-Center Molecular Wave Functions
- I. Introduction
- II. Method of Calculation
- III. Simple Wave Functions
- IV. Complex Wave Functions
- V. General Remarks
- General References
- References
- Chapter 3. Molecular Orbital Theory
- I. Introduction
- II. Spin and Antisymmetry
- III. Orbital Theories
- IV. Single-Configuration Methods
- Appendix A. Orthogonalization Procedures
- Appendix B. Coefficients for Spin Projections
- References
- Chapter 4. Nonadditivity of Intermolecular Forces
- I. Introduction
- II. Long-Range Forces
- III. Short-Range, Three-Body Forces
- IV. Short-Range, Four-Body Forces
- V. Conclusions
- References
- Chapter 5. Quantum Theory of Chemical Reactivity
- I. General Introduction
- II. Basis of the Theory
- III. Equilibrium Constants
- IV. Rate Constants
- V. General Conclusion
- References
- Chapter 6. Electronic Theories of Hydrogen Bonding
- I. Introduction
- II. Phenomenology of Hydrogen Bonding
- III. Classical Theories
- IV. Quantum Theories
- Ground State
- V. Quantum Theories
- Excited State
- References
- Chapter 7. Molecular Orbital Calculations of p Electron Systems
- I. Introduction
- II. The Method of Antisymmetrized Product of Molecular Orbitals in LCAO Approximation, Including Configuration Interaction (ASP MO LCAO CI Method)
- III. Semiempirical Theory of Pariser, Parr, and Pople
- IV. Simple Molecular Orbital Theory
- V. The Validity of the s-p Separation
- References
- Chapter 8. Quantum Theory of Time-Dependent Phenomena Treated by the Evolution Operator Technique
- I. Introduction
- II. Coordinate Space and Momentum Space
- Phase Problem in Quantum Mechanics
- III. Schrödinger Equation
- IV. Schrödinger Equation for Particles in Electromagnetic Field
- V. Evolution Operator
- VI. Reformulation of Quantum Theory
- VII. Transition Probabilities
- VIII. Time-Dependent Perturbation Theory
- IX. Discussion
- Appendix. Evaluation of Certain Integrals
- References
- Author Index
- Subject Index
