Map: Quantum Mechanics in Chemistry (Simons and Nichols)

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   17:34, 9 Sep 2016

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http://simons.hec.utah.edu/TheoryPage/BookPDF/

This is a text dealing with the basics of quantum mechanics and electronic structure theory. It provides an introduction to molecular spectroscopy and to the subject of molecular dynamics.

• 1: The Basic Tools of Quantum Mechanics
• 2: Approximation Methods
• 3: Nuclear Motion
• 4: Atomic Orbitals
• 5: Molecular Orbitals
• 6: Quantum Mechanics in Reactions
• 7: Further Characterization of Molecular Orbitals
• 8: Electronic Configurations
• 9: Symmetry of Electronic Wavefunctions
• 10: Angular Momentum and Group Symmetries of Electronic Wavefunctions
• 11: Evaluating the Matrix Elements of N-electron Wavefunctions
• 12: Quantum Mechanical Picture of Bond Making and Breaking Reactions
• 13: Molecular Rotation and Vibration
• 14: Time-dependent Quantum Dynamics
• 15: Spectroscopy
• 16: Collisions and Scattering
• 17: Higher Order Corrections to Electronic Structure
• 18: Multiconfiguration Wavefunctions
• 19: Multi-Determinant Wavefunctions
• 20: Response Theory

Contributors

• Jack Simons (Henry Eyring Scientist and Professor of Chemistry, U. Utah) Telluride Schools on Theoretical Chemistry and  Jeff A. Nichols (Oak Ridge National Laboratory)