Quantum Chemistry Student Edition

Author: Lowe   John  

Publisher: Elsevier Science‎

Publication year: 2012

E-ISBN: 9780323144438

P-ISBN(Paperback): 9780124575523

P-ISBN(Hardback):  9780124575523

Subject: O641.12 quantum theory of chemical bond

Language: ENG

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Description

Quantum Chemistry: Student Edition emphasizes the ground state molecular orbital theory of molecules. This book contains 14 chapters that also cover some aspects of quantum mechanics theory.
The opening chapters deal with some simple, but important, particle systems, allowing the introduction of many basic concepts and definitions of classical physics. The subsequent chapters consider the simple harmonic oscillator, the hydrogenlike ion, and many-electron atoms. Considerable chapters are devoted to the development of methods for performing linear variational calculations. These methods require solving a determinantal equation for its roots, and then solving a set of simultaneous homogeneous equations for coefficients. The closing chapters explore the concept and application of group theory and the qualitative molecular orbital theory.
This book is of great value to organic, inorganic, and physical chemists, as well as to undergraduate or graduate chemistry students.

Chapter

Front Cover

pp.:  1 – 4

Copyright Page

pp.:  5 – 10

Dadication

pp.:  6 – 16

Table of Contents

pp.:  10 – 6

PREFACE

pp.:  16 – 20

Chapter 2. Quantum Mechanics of Some Simple Systems

pp.:  45 – 79

Chapter 3. The One-Dimensional Harmonic Oscillator

pp.:  79 – 95

Chapter 4. The Hydrogenlike Ion

pp.:  95 – 126

Chapter 5. Many-Electron Atoms

pp.:  126 – 154

Chapter 6. Postulates and Theorems of Quantum Mechanics

pp.:  154 – 169

Chapter 7. The Variation Method

pp.:  169 – 221

Chapter 8. The Simple Hückel Method and Applications

pp.:  221 – 286

Chapter 9. Matrix Formulation of the Linear Variation Method

pp.:  286 – 302

Chapter 10. The Extended Hückel Method

pp.:  302 – 328

Chapter 11. The SCF–LCAO–MO Method and Extensions

pp.:  328 – 366

Chapter 12. Time-Independent Rayleigh-Schrödinger Perturbation Theory

pp.:  366 – 400

Chapter 13. Group Theory

pp.:  400 – 456

Chapter 14. Qualitative Molecular Orbital Theory

pp.:  456 – 502

Appendix I. Useful Integrals

pp.:  502 – 504

Appendix 2. Determinants

pp.:  504 – 507

Appendix 3. Evaluation of the Coulomb Repulsion Integral over Is AOs

pp.:  507 – 512

Appendix 4. Some Characteristics of Solutions of the Linear Variation Procedure

pp.:  512 – 517

Appendix 5. The Pairing Theorem

pp.:  517 – 519

Appendix 6. Hückel Molecular Orbital Energies, Coefficients, Electron Densities, and Bond Orders for Some Simple Molecules

pp.:  519 – 528

Appendix 7. Derivation of the Hartree–Fock Equation

pp.:  528 – 539

Appendix 8. The Virial Theorem for Atoms and Diatomic Molecules

pp.:  539 – 544

Appendix 9. Details1 of the Solution of the Matrix Equation HC = SCE

pp.:  544 – 557

Appendix 10. Computer Program Listings

pp.:  557 – 571

Appendix 11. Bra-Ket Notation

pp.:  571 – 573

Appendix 12. Values of Some Useful Constants and Conversion Factors

pp.:  573 – 577

Appendix 13. Group Theoretical Charts and Tables

pp.:  577 – 591

Appendix 14. Hints for Solving Selected Problems

pp.:  591 – 593

Appendix 15. Answers to Selected Problems

pp.:  593 – 614

INDEX

pp.:  614 – 619

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