Quantum Chemistry / Edition 5

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Overview

Integrating many new computer-oriented examples and problems throughout, this modern introduction to quantum chemistry covers quantum mechanics, atomic structure, and molecular electronics, and clearly demonstrates the usefulness and limitations of current quantum-mechanical methods for the calculation of molecular properties.

Covers such areas as the Schrödinger Equation, harmonic oscillator, angular momentum, hydrogen atom, theorems of quantum mechanics, electron spin and the Pauli Principle, the Virial Theorem and the Hellmann-Feynman Theorem, and more. Contains solid presentations of the mathematics needed for quantum chemistry, clearly explaining difficult or subtle points in detail. Offers full, step-by-step examinations of derivations that are easy to follow and understand. Offers comprehensive coverage of recent, revolutionary advances in modern quantum-chemistry methods for calculating molecular electronic structure, including the ab initio and semiempirical methods for molecular calculations. Now integrates over 500 problems throughout, with a substantial increase in the amount of computer applications, and fully updated discussions of molecular electronic structure calculations.For professionals in all branches of chemistry.

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Editorial Reviews

Booknews
Intended for first-year graduate and advanced undergraduate courses in quantum chemistry, this volume includes new material including the Numerov method for numerical solution of the one-dimensional Schr<:o>dinger equation; linear-scaling methods; molecular electrostatic potentials; conformational searching; vibrational frequencies; thermodynamic properties; ab initio quantum chemistry programs; composite methods; solvent effects; the ONIOM, IMOMO, and IMOMM methods. Coverage has also been expanded on density-functional theory, the molecular-mechanics method, semiempirical methods, geometry optimization, and comparison of methods. Integrated throughout are detailed treatments of the required mathematics, including operators, differential equations, simultaneous linear equations, and other needed topics. Annotation c. Book News, Inc., Portland, OR (booknews.com)
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Product Details

  • ISBN-13: 9780136855125
  • Publisher: Prentice Hall
  • Publication date: 7/26/1999
  • Edition description: Revised
  • Edition number: 5
  • Pages: 739
  • Product dimensions: 7.20 (w) x 9.30 (h) x 1.40 (d)

Table of Contents

Please note this is from the 5th edition Table of Contents:

1. The Schrödinger Equation.


2. The Particle in a Box.


3. Operators.


4. The Harmonic Oscillator.


5. Angular Momentum.


6. The Hydrogen Atom.


7. Theorems of Quantum Mechanics.


8. The Variation Method.


9. Perturbation Theory.


10. Electron Spin and the Pauli Principle.


11. Many-Electron Atoms.


12. Molecular Symmetry.


13. Electronic Structure of Diatomic Molecules.


14. The Virial Theorem and the Hellmann-Feynman Theorem.


15. Ab Initio and Density-Functional Treatments of Molecules.


16. Semiempirical and Molecular-Mechanics Treatments of Molecules.


17. Comparisons of Methods.


Appendix.


Bibliography.


Answers to Selected Problems.


Index.

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Sort by: Showing all of 2 Customer Reviews
  • Anonymous

    Posted May 17, 2001

    Not Bad

    My professor/advisor recommended this book from which to study when I was learning Quantum Chemistry as an independent study (meaning no lectures or lessions, just sit and grind at it). While I found it mathematically useful, it was lacking in conceptual explanations and data. Many times I've had to ask my professor what does this REALLY mean and why are those numbers significant. Granted, the math and derivations were very well documented and explained, I followed them all the way through, but it was rather inadequate in really explaining how the math related to quantum mechanical phenomena and the practicality of the math. So from the viewpoint of an undergraduate, the text was lacking as a instructional medium from which to learn quantum chemistry conceptually, but it sure gave a good mathematical foundation of it.

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  • Anonymous

    Posted April 18, 2009

    No text was provided for this review.

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