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.
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Density Functional Theory
École PolytechniqueAbout this Course
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Advanced Level
Bachelor in physics/chemistry. Knowledge of quantum mechanics.
Approx. 25 hours to complete
English
Subtitles: English
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Try Coursera for BusinessWhat you will 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
Flexible deadlines
Reset deadlines in accordance to your schedule.
Shareable Certificate
Earn a Certificate upon completion
100% online
Start instantly and learn at your own schedule.
Advanced Level
Bachelor in physics/chemistry. Knowledge of quantum mechanics.
Approx. 25 hours to complete
English
Subtitles: English
Could your company benefit from training employees on in-demand skills?
Try Coursera for Business
Offered by
École Polytechnique
École polytechnique combines research, teaching and innovation at the highest scientific and technological level worldwide to meet the challenges of the 21st century. At the forefront of French engineering schools for more than 200 years, its education promotes a culture of multidisciplinary scientific excellence, open in a strong humanist tradition.\n
Syllabus - What you will learn from this course
9 hours to complete
From the Many-Body problem to Density Functional Theory
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.
9 hours to complete
13 videos (Total 99 min), 7 readings, 7 quizzes
10 hours to complete
From density to the Kohn-Sham world
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.
10 hours to complete
10 videos (Total 90 min), 5 readings, 5 quizzes
7 hours to complete
Approximations and strategies
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.
7 hours to complete
11 videos (Total 99 min), 8 readings, 1 quiz
Reviews
- 5 stars88.23%
- 4 stars10.92%
- 3 stars0.84%
TOP REVIEWS FROM DENSITY FUNCTIONAL THEORY
by ASMar 6, 2021
I would have preferred some lecture notes on LDA as well. Rest of the course was inch perfect
by NCFeb 27, 2021
Thank you to the instructors for explaining it so well and making it so interesting. i learned a lot.
by SWMar 17, 2022
I like the way this course explains the DFT. It would be better if we can have some practice on small project, even trivial, such as using VASP or GPAW, if possible.
by GPApr 21, 2021
This is very good course for learning DFT from basic to advance.
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