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ShellPair, ShellPair, Threshold -> Boolean
Compute an upper bound for four-center electron repulsion integrals using precomputed two-center integrals to determine if they can be bypassed.
Problem it solves
Evaluating all O(N^4) two-electron integrals becomes a bottleneck, even though most contributions are numerically negligible.
Consumes
Emits
The real projects this mechanism was found in. Attribution is the point — this is how the best teams actually do it.