Dr. Schaefer

• CHEM 1211, Freshman Chemistry

Basic Theory

• Review of Quantum Chemistry
  
• Infrared Intensities
  
• Born-Oppenheimer Approximation
  
• Integral Calculations
  
• Relativisitic Quantum Chemistry
  
• Permutational Symmetry of Integrals
  

Hartree-Fock and Configuration Interaction

• Hartree-Fock Theory
  
• Configuration Interaction
  
• Slater's Rules
  
• Unitary Group Hamiltonian
  
• First-Order Interacting Space
  
• CI Natural Orbitals
  
• Davidson Correction
  
• CASSCF
• MRCI
  

Coupled-Cluster and Many-Body Perturbation Theory

• Perturbation Theory
  
• Coupled Cluster Theory
  

Programming Lectures

• Yoshimine Sorting
  
• Computer Implementation of Loop Structures
  
• Computational Scaling of CI
  
• Orbital Indexing
  

Links to Lecture Notes in dvi Format


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Last modified: Weds. October 25, 2000