Elementary Molecular Quantum Mechanics, 2nd Edition

  • Published By:
  • ISBN-10: 0444626662
  • ISBN-13: 9780444626660
  • DDC: 541.28
  • Grade Level Range: College Freshman - College Senior
  • 1012 Pages | eBook
  • Original Copyright 2013 | Published/Released June 2014
  • This publication's content originally published in print form: 2013

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The second edition of Elementary 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.

Table of Contents

Front Cover.
Half Title Page.
Title Page.
Copyright Page.
Dedication Page.
1: Mathematical Methods.
2: Mathematical Foundations and Approximation Methods.
3: Coordinate Systems.
4: Differential Equations in Quantum Mechanics.
5: Special Functions.
6: Functions of a Complex Variable.
7: Matrices.
8: Molecular Symmetry.
9: Abstract Group Theory.
10: The Electron Spin.
11: Angular Momentum Methods for Atoms.
12: Applications.
13: The Physical Principles of Quantum Mechanics.
14: Atomic Orbitals.
15: Variational Calculations.
16: Many-Electron Wavefunctions and Model Hamiltonians.
17: Valence Bond Theory and the Chemical Bond.
18: Post-Hartree–Fock Methods.
19: Atomic and Molecular Interactions.
20: Evaluation of Molecular Integrals.
21: Relativistic Molecular Quantum Mechanics.
22: Molecular Vibrations.
Author Index.
Subject Index.