Comments (2)
In Bagel the determinants are represented as (alpha electrons)(beta electrons) in this order. So 22ab is (1,2,3)(1,2,4), 22ba is (1,2,4)(1,2,3). The coefficients are consistent with this convention. Your expectation of sign is probably coming from the fact that you have a different ordering of electrons in your mind.
(sorry actually it may be that it is beta first and alpha second… although it should not matter in this case. anyhow hope this makes easy for you to understand).
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Many thanks! Now I understand!
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