Quantum Chemistry Student Edition

✍ Scribed by John Lowe (Auth.)

• Publisher: Academic Press
• Year: 1978
• Tongue: English
• Leaves: 604
• Category: Library

✦ Synopsis

This text begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom, many-electron atoms, and principles of quantum mechanics. It then looks at variation and perturbation methods, group theory, Huckel and extended Huckel methods, qualitative MO theory, and MO theory of periodic systems

✦ Table of Contents

Content:
Front Matter, Page iii
Copyright, Page iv
Dedication, Page v
THE MOLECULAR CHALLENGE, Page vii
PREFACE, Pages xv-xvi
CHAPTER 1 - CLASSICAL WAVES AND THE TIME-INDEPENDENT SCHRÖDINGER WAVE EQUATION, Pages 1-26
CHAPTER 2 - QUANTUM MECHANICS OF SOME SIMPLE SYSTEMS, Pages 27-59
CHAPTER 3 - THE ONE-DIMENSIONAL HARMONIC OSCILLATOR, Pages 60-75
CHAPTER 4 - THE HYDROGENLIKE ION, Pages 76-106
CHAPTER 5 - MANY-ELECTRON ATOMS, Pages 107-134
CHAPTER 6 - POSTULATES AND THEOREMS OF QUANTUM MECHANICS, Pages 135-149
CHAPTER 7 - THE VARIATION METHOD, Pages 150-201
CHAPTER 8 - THE SIMPLE HÜCKEL METHOD AND APPLICATIONS, Pages 202-266
CHAPTER 9 - MATRIX FORMULATION OF THE LINEAR VARIATION METHOD, Pages 267-282
CHAPTER 10 - THE EXTENDED HÜCKEL METHOD, Pages 283-308
CHAPTER 11 - THE SCF–LCAO–MO METHOD AND EXTENSIONS, Pages 309-346
CHAPTER 12 - TIME-INDEPENDENT RAYLEIGH-SCHRÖDINGER PERTURBATION THEORY, Pages 347-380
CHAPTER 13 - GROUP THEORY, Pages 381-436
CHAPTER 14 - QUALITATIVE MOLECULAR ORBITAL THEORY, Pages 437-482
APPENDIX 1 - USEFUL INTEGRALS, Pages 483-484
APPENDIX 2 - DETERMINANTS, Pages 485-487
APPENDIX 3 - EVALUATION OF THE COULOMB REPULSION INTEGRAL OVER 1s AOs, Pages 488-492
APPENDIX 4 - SOME CHARACTERISTICS OF SOLUTIONS OF THE LINEAR VARIATION PROCEDURE, Pages 493-497
APPENDIX 5 - THE PAIRING THEOREM, Pages 498-499
APPENDIX 6 - HÜCKEL MOLECULAR ORBITAL ENERGIES, COEFFICIENTS, ELECTRON DENSITIES, AND BOND ORDERS FOR SOME SIMPLE MOLECULES, Pages 500-508
APPENDIX 7 - DERIVATION OF THE HARTREE–FOCK EQUATION, Pages 509-519
APPENDIX 8 - THE VIRIAL THEOREM FOR ATOMS AND DIATOMIC MOLECULES, Pages 520-524
APPENDIX 9 - DETAILS OF THE SOLUTION OF THE MATRIX EQUATION HC=SCE, Pages 525-537
APPENDIX 10 - COMPUTER PROGRAM LISTINGS, Pages 538-551
APPENDIX 11 - BRA–KET NOTATION, Pages 552-553
APPENDIX 12 - VALUES OF SOME USEFUL CONSTANTS AND CONVERSION FACTORS, Pages 554-557
APPENDIX 13 - GROUP THEORETICAL CHARTS AND TABLES, Pages 558-571
APPENDIX 14 - HINTS FOR SOLVING SELECTED PROBLEMS, Pages 572-573
APPENDIX 15 - ANSWERS TO SELECTED PROBLEMS, Pages 574-593
INDEX, Pages 595-599