Introduction to Quantum Chemistry and Molecular Modeling.
 Version 3
 by Baudilio Tejerina
 Version 6
 by Baudilio Tejerina
Deletions or items before changed
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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 HartreeFock (HF) approximation. Differential equation.[[BR]]b. The RoothaanHall equations. The algebraic equation.[[BR]]  
13  # The BornOppenheimer 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    <math> 
+  == <math>\widehat {H} \Psi = E \Psi </math> ==

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20  #'''INTRODUCTION'''  
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22  The internal structure of atoms and molecules: Quantum Mechanics. 