Advances in Quantum Chemistry

 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