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Preprint Sep 2026

Near Chemical Accuracy From Size-Consistent Pad\'e Resummed M{\o}ller-Plesset Perturbation Theory

Pad\'e resummation of the correlation energy from M{\o}ller-Plesset (MP) perturbation theory is not size-consistent and is therefore seldom used. We present an orbital-based Pad\'e resummation of the MP2 and MP3 self-energy operators, whose trace yields a size-consistent correlation energy. We find that damping the thi...

Kyle Bystrom, Timothy C. Berkelbach, D. Hait · 0 citations

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