Quantum Chemistry
Springer-Verlag New York Inc.
978-1-4613-6879-3 (ISBN)
From the Foreword by Paul Mezey, University of Saskatchewan.
Quantum Chemistry: Fundamentals to Applications develops quantum chemistry all the way from the fundamentals, found in Part I, through the applications that make up Part II.
The applications include:
molecular structure;
spectroscopy;
thermodynamics;
chemical reactions;
solvent effects; and
excited state chemistry.
The importance of this field is underscored by the fact that the 1998 Nobel Prize in Chemistry was awarded for the development of Quantum Chemistry.
1. Fundamentals of Group Theory.- 2. Postulates of Quantum Mechanics.- 3. Playing with the Schrödinger Equation.- 4. Quantum Chemistry: A Hierarchy of Approximations.- 5. Methods of Solution.- 6. The Hartree-Fock Method and Its Consequences.- 7. Beyond the Hartree-Fock Method.- 8. The Theory of Electron Density.- 9. Semiempirical Methods.- 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 Basics of Linear Algebra.- 1. Vectors in Three-Dimensional Space.- 2. Vectors in n-Dimensional Space.- 3. Simultaneous Linear Equations.- 4. Matrices and Matrix Operations.- 5. The Determinant.- 6. Scalar Product.- 7. Transformations.- 8. Eigenvalue Equations.- 9. The Space of Square Integrable Functions.- Appendix II. Selected Character Tables.- Appendix III. Units.- Appendix IV. Recent Books in Quantum Chemistry.
Zusatzinfo | XX, 383 p. |
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Verlagsort | New York, NY |
Sprache | englisch |
Maße | 178 x 254 mm |
Themenwelt | Mathematik / Informatik ► Informatik |
Naturwissenschaften ► Chemie ► Physikalische Chemie | |
Naturwissenschaften ► Physik / Astronomie ► Quantenphysik | |
ISBN-10 | 1-4613-6879-0 / 1461368790 |
ISBN-13 | 978-1-4613-6879-3 / 9781461368793 |
Zustand | Neuware |
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