certik / theoretical-physics

Source code of the Theoretical Physics Reference online book
https://theoretical-physics.com
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6j symbol mistake in HF derivation #19

Open certik opened 11 years ago

certik commented 11 years ago

Reported by Liguang G. Jiao.

http://theoretical-physics.net/dev/src/quantum/hf.html#two-particle

In the final form of the two-electron potential matrix <l1,l2,L,M| 1/r_12 |l1',l2',L',M'>, I think there is no factor (2L+1). This factor will be eliminated in constructing the six-J symbols.

I think the first two "=" are correct, but the third one (the last "=" sign) is not. After summing up over M, there cannot be any M left in the equation. So I think we are missing a summation over M in the last equation there.

That way the 2L+1 factor disappears from the final formula for the two electron integral, as it should.