Introduction to Density Functional Theory (DFT)

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Learn what Density Functional Theory is all about, including local density approximation, generalized gradient approximation, hybrid functionals, and what to watch out for when using DFT

David Sherrill

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the cat seemed quite spooked at the prospect of DFT :D

ENKI

Your videos are a lifesaver! I'm an undergrad working in a lab and the PI has just been pushing so much self-study onto me and I have no idea where to start. But your videos are giving me a good introduction. Thank you!

kevinhevans

This is what is missing from a typical DFT introduction, thank you so much for the superb explanation (+100 points for loving black cats)

rashidal-heidous

I am very happy to find these great lectures. Greetings from Chile.

notmaqui

I have my research presentation tomorrow using DFT and this video helped me understand so much, thank you!!!

riccistrattan

I was hoping onyx was going to present but this certainly a fantastic lecture too

Flash_

Absolutely wonderful. Very informative 👏

dr.pankajkandwal-official

searched for dft, came for the cat, stayed for hoping to see the cat again

mriduljain

omg I loved it, thank u so much, I learned a lot, the cat is amazing

danieladuran

Thanks for the lecture professor
I have two questions.
1) is it only applicable for ground state only .
2) in the term of when you said it's an exact theory but it's exchange correlation energy functional if that's the issue here so can we just “ignore” it since it's very small term and the remaining term can be treated as by average value of them as Born Oppenheimer approximation.
I hope it make sense

lalitasharma

As Mt.Sc. undergraduate i found this insanely interesting. I'd love to know more about what we know about the exact functional. How close have we got? What are the properties we've proven it has?

panagiotisapostolidis

$\vec{r}^{\mkern3mu\prime}$
will help with overlapping of prime symbol and the arrow symbol.

DavidLee-jdot

It was great, especially the ending; the excited cat. HAHA
One or two questions though, It has been observed that Minnesota functionals can show good energetics even without -D correction. Some people also say that adding -D to a Minnesota functional can lead to double correction. What is your expert opinion on that?
Is there any lecture coming on Orbital Optimized MP/CC methods? Are there books/lectures already published about that? Can you share?
Thanking You.

prasantabandyopadhyay

This is one of those 'introductions' which assumes that you already know the topic.

noninvasive_rectal_probe

Good, but very superficial. DFT and other quantum chemistry methods are about finding stationary points of the functional. All their theretical development is how to shrink the space of functions, which can compete in the variational problem. If you feel, you understood something about DFT from this lecture, I have bad news for you.

Tyomas

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