Elementary Methods of Molecular Quantum Mechanics

1st Edition

Authors: Valerio Magnasco
Hardcover ISBN: 9780444527783
eBook ISBN: 9780080466804
Imprint: Elsevier Science
Published Date: 17th November 2006
Page Count: 748
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Description

Elementary Methods of Molecular Quantum Mechanics shows the methods of molecular quantum mechanics for graduate University students of Chemistry and Physics. This readable book teaches in detail the mathematical methods needed to do working applications in molecular quantum mechanics, as a preliminary step before using commercial programmes doing quantum chemistry calculations. This book aims to bridge the gap between the classic Coulson’s Valence, where application of wave mechanical principles to valence theory is presented in a fully non-mathematical way, and McWeeny’s Methods of Molecular Quantum Mechanics, where recent advances in the application of quantum mechanical methods to molecular problems are presented at a research level in a full mathematical way. Many examples and mathematical points are given as problems at the end of each chapter, with a hint for their solution. Solutions are then worked out in detail in the last section of each Chapter.

Key Features

  • Uses clear and simplified examples to demonstrate the methods of molecular quantum mechanics
  • Simplifies all mathematical formulae for the reader
  • Provides educational training in basic methodology

Readership

For students in chemical physics, theoretical and quantum chemistry also graduate students of chemistry/physics and undergraduate students of physical sciences

Table of Contents

  1. Basic principles of quantum mechanics
  2. Elementary matrix methods
  3. The particle in the box
  4. The hydrogen-like system
  5. The variation method
  6. The electron spin
  7. Many-electron wavefunctions: Slater, Hartree-Fock and related methods
  8. Molecular symmetry and group theoretical methods
  9. Angular momentum methods for atoms
  10. Valence bond methods and the chemical bond
  11. Rayleigh-Schroedinger perturbation methods for stationary states
  12. Atomic and molecular interactions
  13. Evaluation of molecular integrals over STOs

Details

No. of pages:
748
Language:
English
Copyright:
© Elsevier Science 2007
Published:
Imprint:
Elsevier Science
eBook ISBN:
9780080466804
Hardcover ISBN:
9780444527783

About the Author

Valerio Magnasco

Professor of Theoretical Chemistry at the Department of Chemistry and Industrial Chemistry, (DCCI) University of Genoa, Italy.

Affiliations and Expertise

Professor of Theoretical Chemistry at the Department of Chemistry and Industrial Chemistry, (DCCI) University of Genoa, Italy.

Reviews

Elementary Methods of Molecular Quantum Mechanics shows the methods of molecular quantum mechanics for graduate University students of Chemistry and Physics. This readable book teaches in detail the mathematical methods needed to do working applications in molecular quantum mechanics, as a preliminary step before using commercial programmes doing quantum chemistry calculations. This book aims to bridge the gap between the classic Coulson’s Valence, where application of wave mechanical principles to valence theory is presented in a fully non-mathematical way, and McWeeny’s Methods of Molecular Quantum Mechanics, where recent advances in the application of quantum mechanical methods to molecular problems are presented at a research level in a full mathematical way. Many examples and mathematical points are given as problems at the end of each chapter, with a hint for their solution. Solutions are then worked out in detail in the last section of each Chapter.