Advances in Quantum Chemistry

✍ Scribed by Per-Olov Lowdin

• Publisher: Elsevier, Academic Press
• Year: 1975
• Tongue: English
• Leaves: 302
• Series: Advances in Quantum Chemistry 9
• Category: Library

✦ Synopsis

Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results and insights, this quality serial provides a single vehicle for following progress in this interdisciplinary area

✦ Table of Contents

Content: Front Cover; Advances in Quantum Chemistry, Volume 9; Copyright Page; Contents; List of Contributors; Preface; Chapter 1. Utilization of Transferability in Molecular Orbital Theory; I. General Introduction; II. Transferability of Fock Matrix Elements; III. Localized Orbitals; IV. Improved SCF Cycling; V. General Conclusions; References; Chapter 2. A Series of Electronic Spectral Calculations Using Nonempirical CI Techniques; I. Introduction; II. Importance of the AO Basis in Excited State Calculations; III. Use of the SCF Method for the Description of Excited States. IV. Use of CI Methods in Electronic Spectral CalculationsV. Electronic Spectra of Systems with Twelve Valence Electrons; VI. Outlook for Future Calculations; References; Chapter 3. Time-Independent Diagrammatic Approach to Perturbation Theory of Fermion Systems; I. Introduction; II. Rayleigh-Schrödinger Perturbation Theory for a Nondegenerate Level; III. Diagrammatic Method; IV. Diagrams for Perturbation Theory; V. Perturbation Theory for Excitation Energies of Closed-Shell Systems; VI. General Explicit Formulas for the Second- and Third-Order Excitation Energy Contributions. VII. Perturbation Theory for the Ionization Potentials and Electron AffinitiesVIII. Conclusions; Appendix A. Bracketing Technique; Appendix B. Time-Independent Second Quantization Formalism; Appendix C. The Generalized Time-Independent Wick Theorem; Appendix D. Normal Product Form of the Operators; Appendix E. Sign Rule; Appendix F. Linked Cluster Theorem and EPV Diagrams; References; Chapter 4. Coupled-Channel Studies of Rotational and Vibrational Energy Transfer by Collision; I. Introduction; II. Potential Energy Surfaces; III. Coupled Equations; IV. Cross Sections; V. Concluding Remarks.
Abstract: ADVANCES IN QUANTUM CHEMISTRY VOL 9