Computational Chemistry 4.15 - Hartree-Fock Energy

[@gonzaloagj]

Thank you very much for taking the time to making such clear videos! They have been extremely helpful

[@yimsh2017]

Thank you very very much. I realized what I've missed.

[@TMPChem]

Thanks, Yimsh.

[@TheMemesofDestruction]

Thank you so much! ^.^

[@JpmestraoPSN]

the minus sign in the exchange interaction means it is attractive?

[@tag_of_frank]

Wondering why we sum over (j = i+1) and not (j
eq i )? Is it so we don't count the energy between two electrons twice?

[@amiramedini8315]

thank you so much sir. if we use the UHF well we get the same result of the E ?

[@TMPChem]

Hi Amira. For closed-shell systems (ones where all electrons are paired), UHF and RHF should give roughly the same E (within numerical errror tolerances). For open-shell systems (where not all electrons are paired), UHF and RHF can give very different results.

[@amiramedini8315]

@@TMPChem thank you so much

[@aaliaajaafari1988]

Thank you very much...plz reference

[@pallabroy6414]

angular bracket

[@TMPChem]

What about it?

[@pallabroy6414]

pointy bracket = angular bracket.

[@apburner1]

First.