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Handbook of Computational Quantum Chemistry by David B. Cook ISBN: 0486443078 Dover Publications Price: $39.95 click here to see this book This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition. Table of Contents for Handbook of Computational Quantum Chemistry 1. Mechanics and molecules 2. The Hartree–Fock method 3. The matrix SCF equations 4. A special case: closed shells 5. Implementation of the closed-shell case 6. Improvements: tools and methods 7. Molecular integrals: an introduction 8. Molecular integrals: implementation 9. Repulsion integral storage 10. “Virtual orbitals” 11. Choice of tools 12. Open shells: implementing UHF. 12. WEB source for the SCF code 13. Population analysis 14. The general MO functional 15. Spin-restricted open shell 16. Banana skins: unexpected disasters 17. Molecular symmetry 18. Symmetry orbital transformations 19. A symmetry-adapted SCF method 20. Linear multi-determinant methods 21. The valence bond model. 22. Doubly-occupied MCSCF 23. Interpreting the McWeenyan 24. Core potentials 25. Practical core potentials 26. SCF perturbation theory 27. Time-dependent perturbations: RPA 28. Transitions and stability 29. Two-electron transformations 30. Geometry optimisation: derivatives 31. The semi-empirical approach 32. Density functional theory 33. Implementing the Kohn–Sham equations 34. Semi-numerical methods 35. Additional reading and other material

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