PhD course - Introduction to Relativistic Quantum Chemistry

These exercises are based on the PhD course developed and held by S. Knecht, H. J. Aa. Jensen, and K. G. Dyall in Corrientes, Argentina, 2012, prior to the REHE 2012 conference.

This electronic web material can be part of any workshops on relativistic quantum chemistry, where theory lessons are coupled with Grasp and DIRAC computer exercises.

Pen-and-Paper Exercises

• Dirac’s relation
• Two-component Pauli equation (0th order Pauli equation)
• Literature and further reading

Computer Exercises

• Introduction to Computer Exercises
• GRASP computer exercises
  • Exercises - Day 1
  • Exercises - Day 2
• DIRAC computer exercises
  • Exercises - Day 3
  • Exercises - Day 4
  • Exercises - Day 5