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F12 correct
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@ -28,10 +28,9 @@ let f12_integrals mo_basis =
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and ijlk = F12.get_phys two_e_ints i j l k
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in
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if s' = Spin.other s then
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0.375 *. ijkl +. 0.125 *. ijlk
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(*
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0.25 *. ijkl
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*)
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(* Minus sign because we swap spin variables
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instead of orbital variables *)
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0.375 *. ijkl -. 0.125 *. ijlk
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else
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0.25 *. (ijkl -. ijlk)
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end
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