Introduction to Quantum Chemistry and Molecular Modeling.
 Version 1
 by Baudilio Tejerina
 Version 2
 by Baudilio Tejerina
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1  +  '''INTRODUCTION'''



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3  This course is intended to introduce the students to concepts of theoretical chemistry and molecular modeling.  
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5  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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7  The topics and ideas presented in each section are reinforced with varied exercises, references, and further readings.  
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10  +  '''INTRODUCTION'''


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13  The contents of the course is structured as follows:  
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15    +  # The molecular Hamiltonian and the solution of the Schroedinger equation.


16    +  *a. The HF approximation. Differential equation.


17    +  *b. The RHHF equations. The algebraic equation.


18    +  # The BO approximation. Geometry Optimization.


19    +  # Molecular energy and the potential energy surface.


20    +  # Analysis of the WFN: Molecular properties.


21    +  # Molecular geometry. The concept of molecular structure. 

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