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 PolytechniqueÜber diesen Kurs
20.456 kürzliche Aufrufe
Flexible Fristen
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Zertifikat zur Vorlage
Erhalten Sie nach Abschluss ein Zertifikat
100 % online
Beginnen Sie sofort und lernen Sie in Ihrem eigenen Tempo.
Stufe „Fortgeschritten“
Bachelor in physics/chemistry. Knowledge of quantum mechanics.
Ca. 25 Stunden zum Abschließen
Englisch
Untertitel: Englisch
Was Sie lernen werden
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 Fristen
Setzen Sie Fristen gemäß Ihrem Zeitplan zurück.
Zertifikat zur Vorlage
Erhalten Sie nach Abschluss ein Zertifikat
100 % online
Beginnen Sie sofort und lernen Sie in Ihrem eigenen Tempo.
Stufe „Fortgeschritten“
Bachelor in physics/chemistry. Knowledge of quantum mechanics.
Ca. 25 Stunden zum Abschließen
Englisch
Untertitel: Englisch
von
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
Lehrplan - Was Sie in diesem Kurs lernen werden
9 Stunden zum Abschließen
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 Stunden zum Abschließen
13 Videos (Gesamt 99 min), 7 Lektüren, 7 Quiz
10 Stunden zum Abschließen
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 Stunden zum Abschließen
10 Videos (Gesamt 90 min), 5 Lektüren, 5 Quiz
7 Stunden zum Abschließen
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 Stunden zum Abschließen
11 Videos (Gesamt 99 min), 8 Lektüren, 1 Quiz
Bewertungen
Top-Bewertungen von DENSITY FUNCTIONAL THEORY
von NC27. Feb. 2021
Thank you to the instructors for explaining it so well and making it so interesting. i learned a lot.
von SD7. Juni 2021
i am simply amazed. looking forward to another course related to the computational calculations.
von AS6. März 2021
I would have preferred some lecture notes on LDA as well. Rest of the course was inch perfect
von OS13. Feb. 2021
This course presented some difficult concept in DFT in a very easy way to grasp
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