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HomeMIT 3.021J Introduction to Modeling and Simulation, Spring 2012Lecture 3: From Many-Body to Single-Particle: Quantum Modeling of Molecules

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

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Lecture 4: Application of Quantum Modeling of Molecules: Solar Thermal Fuels

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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