The aim of this course is to give a thorough introduction to Density Functional Theory (DFT). DFT is today the most widely used method to study interacting electrons, and its applicability ranges from atoms to solid systems, from nuclei to quantum fluids.
Density Functional Theory
Gain insight into a topic and learn the fundamentals.
4.9
(235 reviews)
Advanced level
Recommended experience
Flexible schedule
3 weeks at 10 hours a week
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What you'll learn
Foundation (mathematical and historical) of DFT, approximation strategies.
Quality and accuracy of different approximations, practical procedure to solve the equations.
Ready to be operative and use DFT for your own research
Skills you'll gain
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Assessments
12 assignments
Taught in English
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There are 3 modules in this course
This week will introduce the Density Functional Theory concepts. The week starts from an introduction to the many-body problem, and how things could be reformulated using the electron density. We will focus on observables, in particular those most directly related to the density. Finally we will discuss the Hohenberg-Kohn theorems. A little historical detour is taken at the end, where we will follow the footprints of the first steps to introduce a functional of the density in quantum problems.
What's included
13 videos7 readings7 assignments
This second week introduces the Kohn-Sham world, a weird and very efficient world in which independent particles are governed by equations that give the exact density. At least, in principle, for the potential felt by the independent particle is unknown, as well as pathological. Again, a brief historical point of view ends the module.
What's included
10 videos5 readings4 assignments1 peer review
This third week tackles some more practical aspects of DFT. In particular the strategies for approximating the unknown exchange-correlation potential. Two other important points are the concept of band-gap and the practical scheme to solve the KS equations, via a self-consistent approach.
What's included
11 videos8 readings1 assignment
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Instructors
Instructor ratings
4.8 (117 ratings)
Offered by
Explore more from Physics and Astronomy
Status: Free TrialUniversity of Colorado Boulder
University of Maryland, College Park
Status: Free TrialUniversity of Colorado Boulder
Status: Free TrialUniversity of Colorado Boulder
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4.9
235 reviews
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Showing 3 of 235
JL
4
Reviewed on Feb 9, 2023
This class focused a little bit more on theory rather than execution of DFT simulations than I would have liked. However, it provided an excellent foundation that has helped me in my career.
BA
4
Reviewed on Aug 6, 2022
Very advanced courSe focused on the basics and development of DFT but the course should be a bit on how to use DFT practically
PK
5
Reviewed on Jun 23, 2022
All the lectures are very nicely prepared and explained. I learned a lot related to DFT concepts through this course. I really thank the entire Ecole Team for their effort in such a nice course.
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