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.
ofrecido por
Density Functional Theory
École PolytechniqueAcerca de este Curso
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Fechas lÃmite flexibles
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Certificado para compartir
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100Â % en lÃnea
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Nivel avanzado
Bachelor in physics/chemistry. Knowledge of quantum mechanics.
Aprox. 25 horas para completar
Inglés (English)
SubtÃtulos: Inglés (English)
Qué aprenderás
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
Fechas lÃmite flexibles
Restablece las fechas lÃmite en función de tus horarios.
Certificado para compartir
Obtén un certificado al finalizar
100Â % en lÃnea
Comienza de inmediato y aprende a tu propio ritmo.
Nivel avanzado
Bachelor in physics/chemistry. Knowledge of quantum mechanics.
Aprox. 25 horas para completar
Inglés (English)
SubtÃtulos: Inglés (English)
ofrecido por
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
Programa - Qué aprenderás en este curso
9 horas para completar
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 horas para completar
13 videos (Total 99 minutos), 7 lecturas, 7 cuestionarios
10 horas para completar
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 horas para completar
10 videos (Total 90 minutos), 5 lecturas, 5 cuestionarios
7 horas para completar
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 horas para completar
11 videos (Total 99 minutos), 8 lecturas, 1 cuestionario
Reseñas
- 5 stars88,23Â %
- 4 stars10,92Â %
- 3 stars0,84Â %
Principales reseñas sobre DENSITY FUNCTIONAL THEORY
por MM27 de jun. de 2022
Truly insightful course, though still in the introductory part the course provides the best example for the beginner
por AK11 de feb. de 2021
The faculty taught with amazing passion, as if we were sitting in front.
por SW17 de mar. de 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.
por SV17 de sep. de 2022
All the concepts are very well explained. Thank you very much to the entire team worked behind the course.
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