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Название: Advances in Quantum Chemistry (Volume 24)
Автор: Lowdin P.
ADVANCES IN QUANTUM CHEMISTRY VOL 24 Z. Content: Front Cover; Advances in Quantum Chemistry, Volume 24; Copyright Page; Contents; Contributors; Preface; Chapter 1. Introduction to Group Theory for Non-Rigid Molecules; 1. Introduction; 2. The Non-Rigid Group Theories; 3. Non-Rigid Molecule Groups for Systems with One, Two, and Three Degrees of Freedom; 4. Non-Rigid Molecule Groups for C3v Rotor Molecules; 5. Comparison between the Longuet-Higgins', Altmann's, and Non-Rigid Groups; 6. Further Comparisons; 7. Local Non-Rigid Groups: The Local Hamiltonian Operator; 8. Local Non-Rigid Group for C3v Rotor Molecules 9. Restricted and Local Non-Rigid Groups10. Applications; 11. Concluding Remarks; Acknowledgments; References; Chapter 2. Some Studies of the General Hartree-Fock Method; 1. History of the General Hartree-Fock Method; 2. The General Hartree-Fock Equations; Separation of Space and Spin; the MO-LCAO-approach; 3. AppIications of the General Hartree-Fock Theory to Some Atoms and the BH Molecule; 4. A Study of the Hessians in the Hartree-Fock Scheme; 5. Concluding Remarks; References; Chapter 3. Many Center AO Integral Evaluation Using Cartesian Exponential Type Orbitals (CETO'S)1 1. Introduction: Brief Historical Background, General Intentions, and Method2. Exponential Type Orbitals; 3. Practical Details on CETO Products; 4. Two Center Expnssion of a CETO Function product; 5. Expansion of the Product of Two Exponential Functions Centered at A and B; 6. Integrals over One-Electron Operators; 7. Integrals over Two-Electron Operators; 8. Conclusions and Prospects of Future; Acknowledgments; References; Chapter 4. Equivalence of Mathematical Objects of Interest in Chemistry and Physics; 1. Abstract; 2. Introduction; 3. Equivalent Alternative Models; 4. Applications 5. NotesReferences; Index Abstract: ADVANCES IN QUANTUM CHEMISTRY VOL 24 Z