Content: Front Cover; Advances in Quantum Chemistry, Volume 7; Copyright Page; CONTENTS; List of Contributors; Preface; Contents of Previous Volumes; Chapter 1. Rotation and Translation of Regular and Irregular Solid Spherical Harmonics; I. Introduction; II. Solid Spherical Harmonics; III. Transformation of Spherical Harmonics under Rotations; IV. Transformation of Solid Spherical Harmonics under Translation; Appendix: List of Some Notations; References; Chapter 2. Molecular Integrals between Real and between Complex Atomic Orbitals; I. Introduction. II. Integrals between Real MO's Represented by Integrals between Complex AO'sIII. Integrals between Real MO's Represented by Integrals between Real AO's; IV. Integrals between Real MO's Represented by Integrals between Real and Imaginary Parts of Complex Charge Distributions; V. Overlap Integrals between Real MO's; References; Chapter 3. The Symmetric Groups and Calculation of Energies of n-Electron Systems in Pure Spin States; I. Introduction; II. Representations of Sn, Young Operators, and the Variational Problem; III. Mathematical Properties of?NaPaNaF. IV. Symmetry Adaptation of Spin FunctionsV. The Complete Antisymmetric Space-Spin Wave Function; VI. Conclusion; References; Chapter 4. Scattered-Wave Theory of the Chemical Bond; I. Introduction; II. The SCF-Xa Scattered-Wave Method; III. Application to Polyatomic Molecules; IV. Applications to Deep-Level Impurities in Semiconductors; V. Applications to Metal Bonding in Enzymes and Proteins; Vl. Discussion; Appendix : Derivation of Scattered-Wave Expansion Theorems; References; Chapter 5. Projection Operators in Hartree-Fock Theory; I. Introduction; II. The Properties of Virtual Orbitals. III. Mathematical BackgroundIV. Theory of Separability of Many-Electron Systems; V. Concluding Remarks; Appendix; References; Chapter 6. An Analytic Independent Particle Model for Atoms; I. Initial Studies; I. Introduction; II. Analytic Representations of the Thomas-Fermi Potential; III. The Phenomenological Model of GSZ; IV. The Relativistic IPM Model; V. The Thomas-Fermi-Dirac Energy Functional Model; VI. Electron-Atom Elastic Scattering; VII. Electron Impact Excitation Cross Sections; VIII. Distorted Wave Calculation of Excitation Cross Sections; IX. Summary, Discussion, and Conclusions.
Abstract: ADVANCES IN QUANTUM CHEMISTRY VOL 7