This course is intended to introduce the students to concepts of theoretical chemistry and molecular modeling.

A practical approach will be used guiding the student from the fundamental theoretical background to the practical aspects of the models: definition, analysis and interpretation.

The topics and ideas presented in each section are reinforced with varied exercises, references, and further readings.


The contents of the course is structured as follows:

# The molecular Hamiltonian and the solution of the Schroedinger equation.
*a.- The HF approximation. Differential equation.
*b.- The RHHF equations. The algebraic equation.
# The BO approximation. Geometry Optimization.
#- Molecular energy and the potential energy surface.
#- Analysis of the WFN: Molecular properties.
#- Molecular geometry. The concept of molecular structure.