Quantum Chemistry / Edition 6

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Overview

The Sixth Edition of this widely used textbook presents quantum chemistry for beginning graduate students and advanced undergraduates. The subject is carefully explained step-by-step, allowing students to easily follow the presentation. Necessary mathematics is reviewed in detail. Worked examples aid learning. A solutions manual for the problems is available. Extensive discussions of modern abinitio, density functional, semiempirical, and molecular mechanics methods are included.
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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: 9780136131069
  • Publisher: Prentice Hall
  • Publication date: 8/21/2008
  • Edition description: Older Edition
  • Edition number: 6
  • Pages: 768
  • Product dimensions: 7.10 (w) x 9.40 (h) x 1.20 (d)

Meet the Author

Ira N. Levine received his Ph.D. in General Chemistry from Harvard University in 1963. He specializes in both physical and quantum chemistry. Currently, he is a professor at the City University of New York, Brooklyn College.
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Table of Contents

1 The Schrodinger Equation 1

2 The Particle in a Box 23

3 Operators 37

4 The Harmonic Oscillator 65

5 Angular Momentum 97

6 The Hydrogen Atom 126

7 Theorems of Quantum Mechanics 166

8 The Variation Method 211

9 Perturbation Theory 248

10 Electron Spin and the Spin-Statistics Theorem 283

11 Many-Electron Atoms 309

12 Molecular Symmetry 351

13 Electronic Structure of Diatomic Molecules 369

14 Theorems of Molecular Quantum Mechanics 435

15 Molecular Electronic Structure 471

16 Electron-Correlation Methods 566

17 Semiempirical and Molecular-Mechanics Treatments of Molecules 636

18 Comparisons of Methods 700

Appendix 719

Bibliography 722

Answers to Selected Problems 725

Index 731

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