Syllabus
Description of the structure of molecules (Z-matrix), Principles of quantum chemical calculations, Areas of potential energy, Calculations of properties of atoms and molecules.
Annotation
The seminar is intended for practical acquaintance with the basics of quantum chemical calculations. Suitable for students bachelor's and subsequent master's studies with knowledge at the level of the course Introduction to
Quantum Mechanics (NOFY027). Particularly suitable as a supplement to the lecture Quantum Theory of
Molecules (NBCM039).