Quantum Chemistry: Theory and Practice

Harvard FAS

This course will cover theoretical and computational approaches to electronic structure problems of molecules and materials. The foundation of Hartree-Fock, density functional theory, perturbation theory, configuration interaction, coupled cluster theory, quantum Monte Carlo, and matrix product states will be covered. Graduate-level quantum mechanics knowledge is assumed. The course will involve a computational project with Q-Chem.This course will cover theoretical and computational…