Quantum Chemistry – John P. Lowe, Kirk A. Peterson – 3rd Edition

Description

Lowe’s new edition assumes little or sophistication and emphasizes an understanding of the techniques and results of quantum chemistry. It can serve as a primary text in quantum courses, and enables students and researchers to comprehend the current literature. This third edition has been thoroughly updated and includes numerous new exercises to facilitate self-study and solutions to selected exercises.* Assumes little initial mathematical or physical sophistication, developing insights and abilities in the context of actual problems
* Provides thorough treatment of the simple systems basic to this subject
* Emphasizes UNDERSTANDING of the techniques and results of modern quantum
* Treats MO theory from simple Huckel through ab intio methods in current use
* Develops perturbation theory through the topics of orbital interaction as well as spectroscopic selection rules
* Presents group theory in a context of MO applications
* Includes qualitative MO theory of molecular structure, Walsh rules, Woodward-Hoffmann rules, frontier orbitals, and reactions develops MO theory of periodic systems, with applications to organic polymers.

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  • Classical Waves and the Time-Independent Schrödinger Wave Equation
    Quantum Mechanics of Some Simple Systems
    The One-Dimensional Harmonic Oscillator
    The Hydrogen-like Ion, Angular Momentum, and the Rigid Rotor
    Many-Electron Atoms
    Postulates and Theorems of Quantum Mechanics
    The Variation Method
    The Simple Hückel Method and Applications
    Matrix Formulation of the Linear Variation Method
    The Extended Hückel Method
    The SCF-LCAO-MO Method and Extensions
    Time-Independent Rayleigh-Schrödinger Perturbation Theory
    Group Theory
    Qualitative Molecular Orbital Theory
    Molecular Orbital Theory of Periodic Systems

    Appendix 1: Useful Integrals
    Appendix 2: Determinants
    Appendix 3: Evaluation of the Coulomb Repulsion Integral over 1s AOs
    Appendix 4: Angular Momentum Rules
    Appendix 5: The Pairing Theorem
    Appendix 6: Hückel Molecular Orbital Energies, Coefficients, Electron Densities, and Bond Orders for Some Simple Molecules
    Appendix 7: Derivation of the Hartree-Fock Equation
    Appendix 8: The Virial Theorem for Atoms and Diatomic Molecules
    Appendix 9: Bra-Ket Notation
    Appendix 10: Values of Some Useful Constants and Conversion Factors
    Appendix 11: Group Theoretical Charts and Tables
    Appendix 12: Hints for Solving Selected Problems
    Appendix 13: Answers to Problems
  • Citation

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