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Introduction to Quantum Chemistry and Molecular Modeling.

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1	This course is intended to introduce the students to concepts of theoretical chemistry and molecular modeling.
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3	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.
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5	The topics discussed in each section are reinforced with varied exercises, references, and further readings.
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9	The contents of the course is structured as follows:
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11	#Introduction.
12	# The molecular Hamiltonian and the solution of the Schroedinger equation.[[BR]]a.- The Hartree-Fock (HF) approximation. Differential equation.[[BR]]b.- The Roothaan-Hall equations. The algebraic equation.[[BR]]
13	# The Born-Oppenheimer approximation. Geometry Optimization.
14	# Molecular energy and the potential energy surface.
15	# Analysis of the WFN: Molecular properties.
16	# Molecular geometry. The concept of molecular structure.
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18	== $\widehat {H} \Psi = E \Psi$ ==
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20	#'''INTRODUCTION'''
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22	The internal structure of atoms and molecules: Quantum Mechanics.