CamCASP/Programming/3
Revision as of 16:10, 26 February 2009 by import>Am592
CamCASP => Programming => Robust integrals
Outline
At present, we calculate our 4-index 2-electron integrals in the following way (chemical notation):
<math>
(pq|rs) \approx (\tilde{pq}|\tilde{rs}) = D^A_{pq,k} (k|l) D^B_{rs,l}
</math>
where we have assumed <math>p,q (r,s)</math> belong to molecule A (B).