Quantum Chemistry on the Computer

Information

Lecture - Wed. 14:15h - 16:00h in SR 23.03 (Taku3)
Exercise - Fri. 10:15h - 12:00h in SR 23.03 (Taku3) or Computerroom (Taku6)

Course material

Books:
Modern Quantum Chemistry - Szabo, Ostlund - Dover Publications
Einführung in die Grundlagen der Quantentheorie - Fick - Aula Verlag
Exploring Chemistry with Electronic Structure Methods - Foresman, Frisch - Gaussian, Inc.

Reference material:

Exercises

  • 1st exercise (theoretical)
  • 2nd exercise (practical)
  • 3rd exercise (practical)
  • 4th exercise (theoretical)
  • 5th exercise (practical) 5th exercise (figures)
  • 6th exercise (practical)
  • 7th exercise (practical)
  • 8th exercise (practical)
  • 9th exercise (practical)
  • cartesian geometry for methylene
  • 10th exercise (practical)
  • 11th exercise (practical)