Outline:

1. Ab Initio and Semiempirical methods for molecular electronic calculations
   • Molecular orbitals and basis sets
   • Semiempirical methods: AM1, PM3, MNDO
   • Density Functional Theory
2. Electron correlation and methods for its computing
   • Moller-Plesset approximation (MPn)
   • Coupled Cluster methods
   • Configuration Interaction methods
3. Computer programs for molecular electronic structures and properties calculations
   • Potential Energy Surfaces
   • Geometry optimization
   • Frequency calculations

Quantum Chemistry Packages of Programs:

• HYPERCHEM
• GAUSSIAN94
• MOLPRO