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.
제공자:
Density Functional Theory
에콜폴리테크니크이 강좌에 대하여
최근 조회 21,835회
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고급 단계
Bachelor in physics/chemistry. Knowledge of quantum mechanics.
완료하는 데 약 25시간 필요
영어
자막: 영어
배울 내용
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
유연한 마감일
일정에 따라 마감일을 재설정합니다.
공유 가능한 수료증
완료 시 수료증 획득
100% 온라인
지금 바로 시작해 나만의 일정에 따라 학습을 진행하세요.
고급 단계
Bachelor in physics/chemistry. Knowledge of quantum mechanics.
완료하는 데 약 25시간 필요
영어
자막: 영어
제공자:
에콜폴리테크니크
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
강의 계획표 - 이 강좌에서 배울 내용
완료하는 데 9시간 필요
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.
완료하는 데 9시간 필요
13개 동영상 (총 99분), 7 개의 읽기 자료, 7 개의 테스트
완료하는 데 10시간 필요
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.
완료하는 데 10시간 필요
10개 동영상 (총 90분), 5 개의 읽기 자료, 5 개의 테스트
완료하는 데 7시간 필요
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.
완료하는 데 7시간 필요
11개 동영상 (총 99분), 8 개의 읽기 자료, 1 개의 테스트
검토
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- 3 stars1.05%
DENSITY FUNCTIONAL THEORY의 최상위 리뷰
SD 제공2021년 6월 7일
i am simply amazed. looking forward to another course related to the computational calculations.
AS 제공2021년 3월 6일
I would have preferred some lecture notes on LDA as well. Rest of the course was inch perfect
NC 제공2021년 2월 27일
Thank you to the instructors for explaining it so well and making it so interesting. i learned a lot.
ZW 제공2022년 1월 22일
This course is fantastic. I've learn a lot from this courses, such as KS equation, many-body wavefunction, and other theories.
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