Thank you so much for the Notes on building D at 37:00 . I was writing my own RHF program for learning and tried using the number of basis functions instead of electrons. This is the first source I found where it's made clear to use the number of electrons. Im eternally grateful to you, for saving me porbably multiple additional days of debugging!
@irallydk24532 ай бұрын
Thank you very much for this explanation. is it possible to have the slides?
@user-vp4ix6ff3b3 ай бұрын
Thank you so much for giving us that wonderful explanation.
@eversongomes57513 ай бұрын
Thank you, professor.
@eversongomes57513 ай бұрын
Great class, professor.
@liastavropoulou28713 ай бұрын
Thank you very much for your videos Professor!! They are so good!
@JeffMTX4 ай бұрын
18:00 slide dialectrics, fwiw:) 27:00, further -> farther?
@JeffMTX4 ай бұрын
This is akin to the high dimensional optimization done every 5 minutes to determine real time dispatch of generators on the grid. N ~ 6000-15000. I’m new to this- it’s very cool. Are the governing eqns close to linear?
@JeffMTX4 ай бұрын
SVD baby!
@meganmalone7774 ай бұрын
Thank you for the very helpful video, this is the best explanation I found to get an introduction to computational chemistry as a chemistry student. Good job 👍
@abidullah88684 ай бұрын
sir when i calculated rdf by lammps the peak for some atoms are very high especially for those atoms which concentration is low, sir how i could decrease the peak value. thank you so much sir
@kubradurgun80645 ай бұрын
Hello sir, thank you for this explanatory lectures on Computational Chemistry which I needed a lot. May I ask which sources did you used as a text book for example while preparing these lectures?
@DavidSherrill15 ай бұрын
A lot of the material is in Szabo and Ostlund's Modern Quantum Chemistry, and in Frank Jensen's Introduction to Computational Chemistry
@expeditadjovi99275 ай бұрын
good job, I'm not verry good in English🤣🤣🤣🤣🤣🤣 but I try to understand and all thing understanble....great
@kenethcoleaudencial89815 ай бұрын
Thank you for the lecture. It really means a lot
@jayl82495 ай бұрын
Thank you for the nice lecture!
@gopalakrishnanarumugam75766 ай бұрын
Excellent :)
@junhyeonlee75346 ай бұрын
Thank you very much!!!
@BigMoneyPauper7 ай бұрын
These are the best videos on electronic structure theory that I have found. Very clear and helpful for a physics person moving into chemistry.
@idilbayndr96847 ай бұрын
I love your videos you're always so humble, sincere and helpful. I love your cat its so cute, such a rompy little one :))
@lalitasharma66878 ай бұрын
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
@pedromeirelesfreire40448 ай бұрын
Professor, I'm in my second research project as an undegraduate here in USP, Brasil; and I've watched your videos since day zero. Thanks a lot for all your knowledge and your will to share it. You're an incredible teacher!
@gracefuldrowning1389 ай бұрын
Cat
@user-sz5dt9ih7f9 ай бұрын
How can physicists discount that an electron can spin around its own axis when, in fact, it has mass? How did they come to the conclusion that spinning is not something electrons do? No physicist has explained this point of view.
@DavidLee-jd5ot10 ай бұрын
$\vec{r}^{\mkern3mu\prime}$ will help with overlapping of prime symbol and the arrow symbol.
@freshd243110 ай бұрын
Thank you Prof. Sherrill on the excellent explanation of the HF Theory! You covered almost all the relevant questions that popped into my head which made it a very clear lecture! I had a hard time understanding this from my own professor here in austria, so thank you very much!
@Angelito08210 ай бұрын
OMG.!! Thank u so much for those lectures.!!! I can't understand it in books !!
@allanron811 ай бұрын
I'm here for the cat.
@hudsOhh11 ай бұрын
Watching your videos to prepare…because I hope they can waive the calculus 2 prerequisite and let me into the atomic theory class at my school!!
@Angelito08211 ай бұрын
the quantum cat ..!!
@muralidharpandey607411 ай бұрын
Please give some about free software for QM/MM calculation for academic purposes
@chairwood Жыл бұрын
I heard someone mention hartree-fock so I looked it up on youtube and found this video. I have no foundation for any of this stuff so I have no idea what's going on. I have so much to learn before I can understand this...
@ndjarnag Жыл бұрын
go jackets
@prakhyashrivastava5987 Жыл бұрын
Thanks a lot sir...this helped a lot
@sophiegerits8239 Жыл бұрын
Can you recommend a textbook that would be good for beginners that are starting computational chemistry research?
@marialuizalinazziperacchi4985 Жыл бұрын
Thank you!!!!!
@sull5307 Жыл бұрын
Great video sir.
@Professional_chemist Жыл бұрын
The cat made the vid🐈 ❤
@petelok9969 Жыл бұрын
Hi Professor, what's the name of the book you mention at around 11:20? Can't quite make it out. Best Wishes. Peter
@bigredone1030 Жыл бұрын
The one from the beginning of video
@rubenguerrero393 Жыл бұрын
Thanks a lot for sharing this. Would be nice if you share the information about the references because is hard to read this information from the slides.
@sahibhasan7095 Жыл бұрын
Thank you so much, professor
@26d8 Жыл бұрын
Great lecture, very well explained. Thank you so much for sharing. Would it be possible to talk about the configuration interactions of subatomic orbitals and their effect on NBOs?
@noninvasive_rectal_probe8990 Жыл бұрын
This is one of those 'introductions' which assumes that you already know the topic.
@lalitasharma6687 Жыл бұрын
Well you should know the basic at least
@andreialexander405 Жыл бұрын
The best explanations of the material, without a doubt