CTQ-011 Atomic and molecular structure (4-2-4)

Code: CTQ-011

 

Title: Atomic and molecular structure

 

Level: Master / PhD

Mandatory: no

Total study time: 120h                                                   TPI: (4-2-4)

 

Summary:

Fundamentals of Quantum Mechanics: Hilbert Space and Dirac notation, Vector Space and representations, Angular Momentum, Schrödinger Equation: time (in)dependent; Elements of Atomic Theory: the Hydrogen atom, many electron wave functions, Variational principle, Perturbation approximation, Molecular orbital theory; Advanced Methods: Configuration Interaction Method, Perturbation Theory, Density Functional Theory; Computational Methods: Classical and Quantum Approaches.

 

Bibliography

• I.N. Levine, Quantum Chemistry, 6ed. Pearson, 2009.
• D.J. Griffiths, Mecânica Quântica, 2ed. Pearson, 2011.
• F.L. Pilar, Elementary Quantum Chemistry, 2ed. Dover, 2001.
• A. Szabo, N. S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, Revised ed. Dover, 1996.
• P. W. Atkins, R. S. Friedman, Molecular Quantum Mechanics, 5th Edition, Oxford University Press, 2010.
• G. C. Schatz, M. A. Ratner, Quantum Mechanics in Chemistry, Dover Publications, 2002.
• E. B. Wilson, Molecular Vibrations: The Theory of Infrared and Raman Vibrational Spectra, Dover Publications, 1980.
• C. Cohen-Tannoudji, B. Diu, F. Laloe, Quantum Mechanics, Wiley-Interscience, 2006.
• Artigos publicados em periódicos especializados relacionados ao tema.