Quantum Chemistry

Front Cover
Academic Press, 2006 - Science - 703 pages
3 Reviews
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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Contents

Classical Waves and the TimeIndependent Schrodinger Wave Equation
1
Quantum Mechanics of Some Simple Systems
27
The OneDimensional Harmonic Oscillator
69
The Hydrogenlike Ion Angular Momentum and the Rigid Rotor
89
ManyElectron Atoms
127
Postulates and Theorems of Quantum Mechanics
166
The Variation Method
190
The Simple Huckel Method and Applications
244
Qualitative Molecular Orbital Theory
484
Molecular Orbital Theory of Periodic Systems
526
Useful Integrals
582
Angular Momentum Rules
591
The Pairing Theorem
601
Derivation of the HartreeFock Equation
614
The Virial Theorem for Atoms and Diatomic Molecules
626
Braket Notation
629

Splitting Constants
271
Matrix Formulation of the Linear Variation Method
308
The Extended Huckel Method
324
The SCFLCAOMO Method and Extensions
348
TimeIndependent RayleighSchrodinger Perturbation Theory
391
Group Theory
429
Appear
465
Values of Some Useful Constants and Conversion Factors
631
Group Theoretical Charts and Tables
638
Hints for Solving Selected Problems
651
Answers to Problems
654
Index
691
Copyright

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