About the course

Objective: to acquire the formative knowledge of Quantum Chemistry to understand the behavior of atoms and molecules mathematically, which allows us to understand what computers do to study molecules with the different computational tools.

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TEMARY

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1. Introduction to Quantum Mechanics

2. Blackbody radiation

3. Photoelectric effect

4. The de Broglie hypothesis

5. The uncertainty principle

6. Postulates of Quantum Mechanics

7. Time Independent Schrödinger Equation

8. Wave function meaning

9. Operators

10. The Particle in a Box

11. Harmonic Oscillator Model

12. Tunnel effect

13. Angular Moment Model

14. The Hydrogen Atom

15. Rigid Rotor

16. Periodic table: ionization energy and electron affinity

17. Multilectronic Atoms

18. o Approximate methods

19. Computational Practice: Geometry optimization, frequency calculation and obtaining IR spectra. The student will learn the basic commands to obtain vibrational geometries and frequencies of the study molecule to obtain IR spectra. Free viewers such as Avogadro will be used to visualize the results. This is intended to relate the harmonic oscillator model and approximate methods with experimental data.

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