Ideas of Quantum Chemistry, Volume Two: Interactions highlights the motions and systems in quantum chemistry and the models and tools used to assess them, thus giving detailed insights into the behaviors underlying quantum chemistry. Using an innovative structure to show the logical relationships between different topics, systems and methods, it answers questions and emphasizes knowledge using practical examples. Beginning with a review of the orbital model of electronic motion in periodic systems, the book goes on to explore the correlation of electronic motions, density functional theory (DFT), electric and magnetic fields, intermolecular interactions, chemical reactions and information processing.
This third release has been updated and revised to cover the latest developments in the field. It can be used on its own as a guide to key interactions and tools or in combination with Volume Two to give a complete overview of the field.
1. Introduction (2) - p. xxi 2. Chapter 1: Electronic Orbital Interactions in Periodic Systems - p. 1 3. Chapter 2: Correlation and Anticorrelation of Electronic Motions - p. 81 4. Chapter 3: Chasing the Correlation Dragon: Density Functional Theory (DFT) - p. 191 5. Chapter 4: The Molecule Subject to Electric or Magnetic Fields - p. 253 6. Chapter 5: Intermolecular Interactions - p. 337 7. Chapter 6: Chemical Reactions - p. 437 8. Chapter 7: Information Processing – The Mission of Chemistry - p. 533 9. Appendix A: Dirac Notation for Integrals - p. 581 10. Appendix B: Hartree–Fock (or Molecular Orbitals) Method - p. 583 11. Appendix C: Second Quantization - p. 587 12. Appendix D: Population Analysis - p. 595 13. Appendix E: Pauli Deformation - p. 601 14. Appendix F: Hydrogen Atom in Electric Field – Variational Approach - p. 609 15. Appendix G: Multipole Expansion - p. 613 16. Appendix H: NMR Shielding and Coupling Constants – Derivation - p. 627 17. Appendix I: Acceptor–Donor Structure Contributions in the MO Configuration - p. 635 18. Acronyms and Their Explanation - p. 639 19. Author Index - p. 647 20. Subject Index - p. 653 21. Sources of Photographs and Figures - p. 657 22. Tables - p. 659
Ideas of Quantum Chemistry, Volume Two: Interactions highlights the motions and systems in quantum chemistry and the models and tools used to assess them, thus giving detailed insights into the behaviors underlying quantum chemistry. Using an innovative structure to show the logical relationships between different topics, systems and methods, it answers questions and emphasizes knowledge using practical examples. Beginning with a review of the orbital model of electronic motion in periodic systems, the book goes on to explore the correlation of electronic motions, density functional theory (DFT), electric and magnetic fields, intermolecular interactions, chemical reactions and information processing.
This third release has been updated and revised to cover the latest developments in the field. It can be used on its own as a guide to key interactions and tools or in combination with Volume Two to give a complete overview of the field.
1. Introduction (2) - p. xxi 2. Chapter 1: Electronic Orbital Interactions in Periodic Systems - p. 1 3. Chapter 2: Correlation and Anticorrelation of Electronic Motions - p. 81 4. Chapter 3: Chasing the Correlation Dragon: Density Functional Theory (DFT) - p. 191 5. Chapter 4: The Molecule Subject to Electric or Magnetic Fields - p. 253 6. Chapter 5: Intermolecular Interactions - p. 337 7. Chapter 6: Chemical Reactions - p. 437 8. Chapter 7: Information Processing – The Mission of Chemistry - p. 533 9. Appendix A: Dirac Notation for Integrals - p. 581 10. Appendix B: Hartree–Fock (or Molecular Orbitals) Method - p. 583 11. Appendix C: Second Quantization - p. 587 12. Appendix D: Population Analysis - p. 595 13. Appendix E: Pauli Deformation - p. 601 14. Appendix F: Hydrogen Atom in Electric Field – Variational Approach - p. 609 15. Appendix G: Multipole Expansion - p. 613 16. Appendix H: NMR Shielding and Coupling Constants – Derivation - p. 627 17. Appendix I: Acceptor–Donor Structure Contributions in the MO Configuration - p. 635 18. Acronyms and Their Explanation - p. 639 19. Author Index - p. 647 20. Subject Index - p. 653 21. Sources of Photographs and Figures - p. 657 22. Tables - p. 659
