Quantum Chemistry: Theory and Practice
QSE 245
Subject & Catalog Number
Course Information
Description
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 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.
Course Notes
This course is also offered as Chem 245. Students may only take one of QSE 245 and Chem 245 for credit.
Available for Harvard Cross Registration
NOTE: This course requires additional sections; you will be prompted to choose secondary components during the Add to Cart process
