Introduction to Density Functional Theory [Part One] Background
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- Опубліковано 14 жов 2024
- An introductory course to performing DFT Calculations. This video should provide the necessary background about the important concepts and approximations behind this method.
References:
Scholl, D. S.; Steckel, J. A. Density Functional Theory: A practical Introduction; John Wiley & Sons, Inc., 2009; pp 9-18.
Atomic System of Units:
en.wikipedia.o...
This is incredible. Dr Timm has stitched together about a dozen sources in spectroscopy, quantum chemistry and computation chemistry and distilled the contents into a (relatively) easy-to-follow story. Great work. Thank you!
Amazing. World class presentation. Speed was perfect and every sentence carried weight. Thank you so so much!
Nice work! I'm trying to understand this book "Density functional theory - A practical introduction" for a weeks now. Videos were nice help. thanks
Can you send this book to me as pdf
Have you got this book otherwise I can send it to you
Thank you! The speed and conciseness of this introduction video were right on point. Keep it up 🫡
Thank you for taking the time to put this together. Really clear and well done!
Thank you for sharing this video with us. Keep it up and please don't lose momentum.
Great explanation. Thank you!
The best explanation I've seen on the subject
I still cannot understand why it’s difficult to solve the electron-electron term. @12:05, four terms? Didn’t we neglect the nucleus-nucleus interaction? Please help.
Thank you matt for a wonderful introduction. This help a lot. Thank you
Your explanation is great, I wish I had watched this video earlier, Бальшое спасибо (= thanks in Russian)
thank you for yout great presentation... could you please insert the link of this Book for free downloading
Thank you ❤
I love these slides. Im hoping to using functional programming in Python to better understand DFT.
You are simply a hero! thank you ❤
Thank you very much for the lecture!! Nicely done.
Beautifully explained
Wow you are the best! You explained it in such practical terms!
Nice work!
I have a a technical questions (that may be a little stupid, sorry). So in the KS equation on 13:31, the potential is determined from evaluating the functionals for each respective potential term. However, won't the integral just give some single number for each, not a spacially dependent potential V(r)? Am I missing something about the math?
An amazing introduction to DFT, thank you!
Amazing work, thanks for your video
Very good explanation, well done.
Thanks for a good v-explanation.
Really interesting topic. Great video.
Great density functional theory tutorial, can provide a PPT of this tutorial
? thanks
Can u please tell whats the difference between LDA and GGA!!!!!!! As soon as u can And why we use plane-waves in ABINIT Code... Because I'm working on my final year project 😢😢😢
Please continue tha lecture❤❤
Thank you for your presentation Sir
I have one query, do we also have to do the programing if we are doing a project on dft in msc ?
You don’t write DFT code by yourself as it is available in most of the computational chemistry packages. But you should learn a programming language if you want to do computational chemistry in future.
thank you from Korea !!!!
very good intro, thank you so much!
can i get ppt of this video?
Can I have your notes (slides)
Thank you professor
Sorry, I still don't understand how to calculate the exchange relation energy in KS equation……
You don't, you approximate
You are amazing!! OMG Thank you
thanks
thankyou, for the very good video
thank for introducing me to that which I will never specialise in, organic my beloved come save me
thank you very much!
Thank you so much
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Great explanation! Thank you!