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.
提供方
Density Functional Theory
巴黎综合理工学院课程信息
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高级
Bachelor in physics/chemistry. Knowledge of quantum mechanics.
完成时间大约为25 小时
英语（English）
字幕：英语（English）
您将学到的内容有
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
可灵活调整截止日期
根据您的日程表重置截止日期。
可分享的证书
完成后获得证书
100% 在线
立即开始，按照自己的计划学习。
高级
Bachelor in physics/chemistry. Knowledge of quantum mechanics.
完成时间大约为25 小时
英语（English）
字幕：英语（English）
提供方
巴黎综合理工学院
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
授课大纲 - 您将从这门课程中学到什么
完成时间为 9 小时
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.
完成时间为 9 小时
13 个视频 （总计 99 分钟）, 7 个阅读材料, 7 个测验
完成时间为 10 小时
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.
完成时间为 10 小时
10 个视频 （总计 90 分钟）, 5 个阅读材料, 5 个测验
完成时间为 7 小时
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.
完成时间为 7 小时
11 个视频 （总计 99 分钟）, 8 个阅读材料, 1 个测验
审阅
来自DENSITY FUNCTIONAL THEORY的热门评论
由 NC 提供Feb 27, 2021
Thank you to the instructors for explaining it so well and making it so interesting. i learned a lot.
由 SD 提供Jun 7, 2021
i am simply amazed. looking forward to another course related to the computational calculations.
由 AS 提供Mar 6, 2021
I would have preferred some lecture notes on LDA as well. Rest of the course was inch perfect
由 OS 提供Feb 13, 2021
This course presented some difficult concept in DFT in a very easy way to grasp
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