Upon completing the course, students will possess the following skills. They are able to
- explain and summarize key methods/ formalisms used to describe the electronic structure and nuclear dynamics of molecular systems (k1/k2);
- describe, compare and distinguish the properties of different approximations in the treatment of the many-electron problem, identifying their unique characteristics and common underlying principles (k2/k4);
- engage with current research topics in the field of coupled dynamics of electrons and nuclei and discuss recent developments (k5).
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During the course, students will acquire knowledge in the following areas and concepts of theoretical quantum chemistry:
- fundamentals of the quantum mechanics of molecules;
- description of the electronic structure using wave-function based approaches (Hartree-Fock and extensions) and in the framework of density functional theory;
- Slater determinants;
- variational principle;
- ground and excited states of molecules and periodic systems;
- coupled dynamics of nuclei and electrons;
- chemical reactions.
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