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


Lowe’s new edition assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry. It can serve as a primary text in quantum chemistry 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 chemistry
* 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 organic 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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