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Results tagged with integrals
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user 52
For 1- and 2-electron integrals in electronic structure calculations, before Hartree-Fock or some other type of self-consistent-field calculation, or the integral transformation which is done after HF or SCF.
9
votes
One-center two-electron integrals between 1s STO
This can be solved analytically, a complete solution can be found here
To refrain from rewriting the entire derivation I will only say that you need to integrate over all 3 dimensional degrees of fre …
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