BC
Bridgette Cooper
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Quantum Chemistry in Dataflow
Density-Fitting MP2
We demonstrate the use of dataflow technology in the computation of the correlation energy in molecules at the Møller-Plesset perturbation theory (MP2) level. Specifically, we benchmark density fitting (DF)-MP2 for as many as 168 atoms (in valinomycin) and show that speed-ups bet
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