Summarizes Generalized Gradient Approximations, Meta-GGAs, Hybrid functionals, First-Principles Molecular Dynamics, QM/MM simulations, and important features of Quantum Chemistry calculations.
Introduces the historical and modern understanding of atoms, quantum mechanics, and the electromagnetic spectrum.
Explores spin operators in quantum chemistry, focusing on their properties and commutation rules with orbital angular momentum operators.
Explores quantum chemistry, covering the Heisenberg Uncertainty Principle and mathematical aspects of quantum mechanics.
Explores the integration of quantum mechanics and molecular mechanics in computational chemistry using CP2K software.
