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.
This video was a lifesaver for my atomic/molecular physics class.
Thanks for all the great lectures. I especially like that you elaborate on the physical interpretation of the integrals.
I recommend everyone to watch Prof. Chris Cramer's lecture series too. Both Prof. Sherrill and Prof. Cramer are excellent lecturers.
The nice physical meaning of exchange integral in based on Pauli principle.
One of the best lectures in HF. A must watch for anyone wants to know about HF.
Thank you for a great content!!! Very clear explanation.
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...
I would like to request to link us a repo with minimal working scripts to each of these techniques.
Hi Professor, what's the name of the book you mention at around 11:20? Can't quite make it out. Best Wishes. Peter
The one from the beginning of video
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!
thank you .
Please write Hartrée fock hypotheses .... !!!
Now everything make sense! Thanks from Brazil!
Thank you so much for these lecturers.
Which book did you mention at 11:23?
Szabo and Ostlund, Modern Quantum Chemistry... available as an inexpensive Dover paperback, highly recommended
Thanks a lot sir...this helped a lot
Thank you so much, professor
Enjoyed the lectures a lot