The Hartree-Fock Algorithm

  Рет қаралды 7,542

David Sherrill

David Sherrill

Күн бұрын

I discuss how the Hartree-Fock algorithm works. First I review the Hartree-Fock equations, then I give an outline of the steps of the Hartree-Fock algorithm, and then I discuss the basics of how these steps would be implemented on a computer.

Пікірлер: 13
@ZCTandZSC
@ZCTandZSC 2 жыл бұрын
Prof. David Sherrill, I have watched almost all of your sharing and they are every much useful in helping me to understand the computational chemistry. Comprehensive and clear. Big thank you to you
@jonasmuller9196
@jonasmuller9196 2 ай бұрын
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!
@peterthebonsai
@peterthebonsai 2 жыл бұрын
You should definetly keep doing videos if you have time! You are helping a lot of people with them :)
@idilbayndr9684
@idilbayndr9684 7 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 :))
@Edseltje
@Edseltje 3 жыл бұрын
Schrödingers cat is alive!
@woojinpark4204
@woojinpark4204 Жыл бұрын
Wondeful video, Thank you sir.
@DavidSherrill1
@DavidSherrill1 3 жыл бұрын
Here's the link to my Hartree-Fock programming project notes: vergil.chemistry.gatech.edu/resources/programming/hf-project.pdf
@umbraemilitos
@umbraemilitos 7 ай бұрын
Have you thought about returning to KZbin?
@allanron8
@allanron8 11 ай бұрын
I'm here for the cat.
@dhh1486
@dhh1486 3 жыл бұрын
Need more videos from u 😭
@nijatshukurov9022
@nijatshukurov9022 3 жыл бұрын
Perfect
@Angelito082
@Angelito082 11 ай бұрын
the quantum cat ..!!
@ziadelmalki3661
@ziadelmalki3661 Жыл бұрын
Dad?
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