All Questions
1 question
19
votes
3
answers
3k
views
Computing two-electron integrals with an STO-3G basis set
I am trying to implement a restricted Hartree-Fock calculation using an STO-3G basis set, for fun. I managed to perform this calculation where only $\mathrm{1s}$ orbitals are present ($\ce{H2}$ and $\...