Introduction to Hartree-Fock Molecular Orbital Theory Part 1

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  • เผยแพร่เมื่อ 2 ต.ค. 2024
  • This video introduces the theory behind Hartree-Fock Molecular Orbital theory, starting from the assumption of the Born-Oppenheimer approximation and the form of the electronic Hamiltonian, to the assumption of a single Slater determinant, to the Hartree-Fock energy expression that we minimize when applying the variational method.

ความคิดเห็น • 18

  • @kevinhevans
    @kevinhevans 3 ปีที่แล้ว +1

    This video was a lifesaver for my atomic/molecular physics class.

  • @ladysm
    @ladysm 3 ปีที่แล้ว +7

    Thanks for all the great lectures. I especially like that you elaborate on the physical interpretation of the integrals.

  • @bachnguyen4471
    @bachnguyen4471 3 ปีที่แล้ว +2

    I recommend everyone to watch Prof. Chris Cramer's lecture series too. Both Prof. Sherrill and Prof. Cramer are excellent lecturers.

  • @MrShafikoff
    @MrShafikoff 2 ปีที่แล้ว +1

    The nice physical meaning of exchange integral in based on Pauli principle.

  • @qingfengwang2404
    @qingfengwang2404 3 ปีที่แล้ว +3

    One of the best lectures in HF. A must watch for anyone wants to know about HF.

  • @klinexxx1871
    @klinexxx1871 2 ปีที่แล้ว +2

    Thank you for a great content!!! Very clear explanation.

  • @chairwood
    @chairwood ปีที่แล้ว

    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...

  • @blakebaird119
    @blakebaird119 ปีที่แล้ว

    I would like to request to link us a repo with minimal working scripts to each of these techniques.

  • @petelok9969
    @petelok9969 ปีที่แล้ว

    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
      @bigredone1030 ปีที่แล้ว

      The one from the beginning of video

  • @freshd2431
    @freshd2431 ปีที่แล้ว

    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!

  • @chetouanesamira6350
    @chetouanesamira6350 3 ปีที่แล้ว

    thank you .
    Please write Hartrée fock hypotheses .... !!!

  • @garciadiegos
    @garciadiegos 2 ปีที่แล้ว

    Now everything make sense! Thanks from Brazil!

  • @moyassarmeshhal6696
    @moyassarmeshhal6696 3 ปีที่แล้ว

    Thank you so much for these lecturers.
    Which book did you mention at 11:23?

    • @DavidSherrill1
      @DavidSherrill1  3 ปีที่แล้ว +3

      Szabo and Ostlund, Modern Quantum Chemistry... available as an inexpensive Dover paperback, highly recommended

  • @prakhyashrivastava5987
    @prakhyashrivastava5987 ปีที่แล้ว

    Thanks a lot sir...this helped a lot

  • @sahibhasan7095
    @sahibhasan7095 ปีที่แล้ว

    Thank you so much, professor

  • @abhijit777999
    @abhijit777999 ปีที่แล้ว

    Enjoyed the lectures a lot