Chemistry 4681 Module: Electronic Structure of Small Molecules Background Handout

C. David Sherrill

Last Revised: 6 January 2000

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• Computational Chemistry
• Electronic Structure Theory
  • Born-Oppenheimer Approximation
  • Levels of Theory
  • Basis Sets
  • Hartree-Fock Theory
  • Density Functional Theory
  • Many-Body Perturbation Theory
• Theoretical Predictions of Molecular Properties
• Walsh Diagrams
• Bibliography
• About this document ...

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C. David Sherrill
2001-03-18

Reference: http://vergil.chemistry.gatech.edu/courses/chem4681/background/background.html