This course consists of two parts. The first part covers basic concepts of molecular symmetry and the application of group theory to describe it. The second part introduces Laplace transforms and Fourier series and their use for solving ordinary and partial differential equations in chemistry & c.e.
This course exploits modern computational tools in a research project aiming at resolving a chemistry problem by group of two students.
The course covers several exact, approximate, and numerical methods to solve the time-dependent molecular Schrödinger equation, and applications including calculations of molecular electronic spectra. More advanced topics include introduction to the semiclassical methods and Feynman path integral.