Quantum Chemistry in Practice (lecture)
Using quantum chemistry to solve chemical problems, the expected accuracy of the results. Extrapolated and multi-layer models (G2, G3, ONIOM, CBS, etc.), solvent models and periodic boundary conditions. Regular problems during computations, design of computational process. Methods for geometry optimization and computation of trajectories. Topology of potential energy surfaces. Use of Gaussian and GaussView.
Lecture notes http://organ.chem.elte.hu/farkas/teach/Q_spec/q_spec.html and related papers from literature.