3.021J | Spring 2012 | Undergraduate

Introduction to Modeling and Simulation

Part II: Quantum Mechanical Methods

Lecture 3: From Many-Body to Single-Particle: Quantum Modeling of Molecules

Description: This lecture briefly reviews the previous lesson, discusses the many-body problem, Hartree and Hartree-Fock, density functional theory, and covers computational approaches, modeling software, and PWscf (plane-wave self-consisten field) input.

Instructor: Jeffrey Grossman