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
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4.9
(213 reviews)
Advanced level
Recommended experience
Flexible schedule
Approx. 25 hours
Learn at your own pace
96%
Most learners liked this course
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
Details to know
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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
Instructors
Instructor ratings
4.9 (107 ratings)
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Recommended if you're interested in Physics and Astronomy
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École Polytechnique
University of Manchester
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