Computational Chemistry 4.17 - Fock Operator

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  • Опубліковано 20 жов 2024

КОМЕНТАРІ • 10

  • @vitusberger1141
    @vitusberger1141 4 роки тому

    You really are a great teacher =) thanks!

  • @isaacleach1
    @isaacleach1 5 років тому

    Great vid, as always. Something I'm a little confused about is whether or not the Fock operator is a 1 electron or 2 electron operator. I see it contains both 1 electron and 2 electron integrals but I've also heard it referred to as a single electron operator...

    • @TMPChem
      @TMPChem  5 років тому +6

      In some regards it is a one-electron operator, and in others it is a two-electron operator. I believe technically it is a one-electron operator, though you could make an opposing argument. It is technically a one electron operator because the effects of the 2nd electron (i.e. all other electrons) is abstracted away into the mean field potential. The electron isn't actually feeling any specific electron, but is experiencing the net average effect of all electrons. However, this depends on which orbital it's in, as the exchange operator cancels out self-interaction, so while each electron is interacting with all others it isn't interacting with itself, therefore each orbital experiences the mean field operator differently. And the core Hamiltonian part is of course uncontroversially a one-electron component.

    • @isaacleach1
      @isaacleach1 5 років тому +1

      @@TMPChem hmmmmm okay that clears things up. Thanks!

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      @zanereyansh4624 3 роки тому

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  • @apburner1
    @apburner1 6 років тому

    First.