Quantum chemistry

CH-244 / 6 crédits

Enseignant: Drabbels Marcel

Langue: Anglais

Summary

Introduction to Quantum Mechanics with examples related to chemistry

Content

  • Introduction and historical perspective
  • The Time Independent Schrödinger equation and applications to simple systems
  • Measurements in quantum mechanical systems
  • Operator formulation of the Schrödinger Equation
  • Postulates of quantum mechanics
  • Time dependent Schrödinger equation
  • The harmonic oscillator
  • Three dimensional systems
  • Angular momentum
  • The hydrogen atom
  • Approximation methods
  • Many electron atoms
  • Electron spin and the Pauli principle
  • Term symbols and coupling of angular momentum
  • Quantum mechanical treatment of molecules
  • Electronic structure calculations

 

Learning Outcomes

By the end of the course, the student must be able to:

  • Formulate quantum mechanical concepts
  • Derive quantum mechanical operators
  • Solve eigen value equations
  • Solve the Schrodinger equation for simple systems
  • Apply quantum mechanical concepts to simple problems
  • Use approximation methods
  • Formulate the relation between spin and the Pauli Exclusion principle and discuss the implications for chemistry
  • Derive term symbols for atoms and molecules
  • Discuss the principles of molecular bonding

Teaching methods

Ex Cathedra with excersise sessions

Expected student activities

Work on the exercises at home

Assessment methods

Oral exam

Resources

Bibliography

Primary Reference:                    

  • D. A. McQuarrie, Quantum Chemistry

 

Secondary References:             

  • P. W. Atkins, Molecular Quantum Mechanics
  • Cohen-Tannoudji, Diu, and Laloë, Quantum Mechanics
  • B.H. Bransden and C.J. Joachain, Introduction to Quantum Mechanics

Ressources en bibliothèque

Moodle Link

Dans les plans d'études

  • Semestre: Automne
  • Forme de l'examen: Oral (session d'hiver)
  • Matière examinée: Quantum chemistry
  • Cours: 4 Heure(s) hebdo x 14 semaines
  • Exercices: 2 Heure(s) hebdo x 14 semaines
  • Type: obligatoire
  • Semestre: Automne
  • Forme de l'examen: Oral (session d'hiver)
  • Matière examinée: Quantum chemistry
  • Cours: 4 Heure(s) hebdo x 14 semaines
  • Exercices: 2 Heure(s) hebdo x 14 semaines
  • Type: obligatoire

Semaine de référence

Mardi, 8h - 10h: Cours CE15

Mercredi, 14h - 16h: Cours CE15

Vendredi, 10h - 12h: Exercice, TP CM1106
CM1104

Cours connexes

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