3. From many-body to single-particle: Quantum modeling of molecules
61.2 هزار بار بازدید -
11 سال پیش
-
MIT 3.021J Introduction to Modeling
MIT 3.021J Introduction to Modeling and Simulation, Spring 2012
View the complete course: 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
More information at ocw.mit.edu/terms
More courses at ocw.mit.edu/
11 سال پیش
در تاریخ 1392/12/15 منتشر شده
است.
61,249
بـار بازدید شده