Delves into troubleshooting errors and pitfalls in electronic structure methods, emphasizing the importance of integration grids and functional choices.
Explores classical and quantum mechanics, covering observables, momentum, Hamiltonian, and the Schrödinger equation, as well as quantum chemistry and the Schrödinger's cat experiment.
Summarizes Generalized Gradient Approximations, Meta-GGAs, Hybrid functionals, First-Principles Molecular Dynamics, QM/MM simulations, and important features of Quantum Chemistry calculations.
