3. From many-body to single-particle: Quantum modeling of molecules

Описание к видео 3. From many-body to single-particle: Quantum modeling of molecules

MIT 3.021J Introduction to Modeling and Simulation, Spring 2012
View the complete course: http://ocw.mit.edu/3-021JS12
Instructor: Michelle Tomasik

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

License: Creative Commons BY-NC-SA
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