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Quantum Chemistry Fundamentals to Applications

by Tamas Veszpremi

  • ISBN: 9780306461644
  • ISBN10: 0306461641

Quantum Chemistry Fundamentals to Applications

by Tamas Veszpremi

  • List Price: $229.00
  • Binding: Hardcover
  • Publisher: Kluwer Academic Pub
  • Publish date: 03/01/2000
  • ISBN: 9780306461644
  • ISBN10: 0306461641
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Description: Foreword. Preface. Part I: The Fundaments. 1. The Fundamentals of Group Theory. 2. The Postulates of Quantum Mechanics. 3. Playing with the Schrdinger Equation. 4. Quantum Chemistry: A Hierarchy of Approximations. 5. Methods of Approximation. 6. The Hartree-Fock Method and Its Consequences. 7. Beyond the Hartree-Fock Method. 8. The Theory of Electron Density. 9. Semiempirical Methods. Part II: Applications. 10. Molecular Structure. 11. Vibrational Frequencies. 12. Thermodynamic Properties. 13. Properties Related to Electron Density. 14. Chemical Reactions. 15. Calculations on Liquids and Solids. 16. Molecular Dynamics Simulations. 17. Ions and Excited Electronic States. Appendix: I. The Basis of Linear Algebra. II. Selected Character Tables. III. Units. IV. 99 Recent Books in Quantum Chemistry.
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