Exercises - Relativistic Quantum Chemistry (TCCM 2021)

These exercises are based on the course given by Trond Saue for The European Master in Theoretical Chemistry and Computational Modelling (TCCM).

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

Before embarking on these exercises, it is strongly recommended to review the lectures notes ! Further theoretical background, in particular about Hamiltonians, is found in Trond Saue, ChemPhysChem 12 (2011) 3077 (pdf).

Pen-and-Paper Exercises

• Pauli spin matrices

Computer Exercises

• Introduction
• Atomic calculations
• Molecular calculations