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.

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'''INTRODUCTION'''

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.