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.
Offert par
Density Functional Theory
École polytechniqueÀ propos de ce cours
24 290 consultations récentes
Dates limites flexibles
Réinitialisez les dates limites selon votre disponibilité.
Certificat partageable
Obtenez un Certificat lorsque vous terminez
100 % en ligne
Commencez dès maintenant et apprenez aux horaires qui vous conviennent.
Niveau avancé
Bachelor in physics/chemistry. Knowledge of quantum mechanics.
Approx. 25 heures pour terminer
Anglais
Sous-titres : Anglais
Ce que vous allez apprendre
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
Dates limites flexibles
Réinitialisez les dates limites selon votre disponibilité.
Certificat partageable
Obtenez un Certificat lorsque vous terminez
100 % en ligne
Commencez dès maintenant et apprenez aux horaires qui vous conviennent.
Niveau avancé
Bachelor in physics/chemistry. Knowledge of quantum mechanics.
Approx. 25 heures pour terminer
Anglais
Sous-titres : Anglais
Offert par
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
Programme du cours : ce que vous apprendrez dans ce cours
9 heures pour terminer
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 heures pour terminer
13 vidéos (Total 99 min), 7 lectures, 7 quiz
10 heures pour terminer
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 heures pour terminer
10 vidéos (Total 90 min), 5 lectures, 5 quiz
7 heures pour terminer
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 heures pour terminer
11 vidéos (Total 99 min), 8 lectures, 1 quiz
Avis
Meilleurs avis pour DENSITY FUNCTIONAL THEORY
par NC27 févr. 2021
Thank you to the instructors for explaining it so well and making it so interesting. i learned a lot.
par SD7 juin 2021
i am simply amazed. looking forward to another course related to the computational calculations.
par AS6 mars 2021
I would have preferred some lecture notes on LDA as well. Rest of the course was inch perfect
par OS13 févr. 2021
This course presented some difficult concept in DFT in a very easy way to grasp
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