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Meijer-G and other resummation strategies for the Møller-Plesset perturbation series
Yilin Zhao1, Wenbiao Zhang2, Chunying Rong2
1Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1, Canada.
Abstract:
We compare various resummation techniques on truncated Møller-Plesset perturbation series. Our main results are for Padé, Borel-Padé, and Meijer G resummation techniques. All these resummation techniques improve the energies from truncated Møller-Plesset perturbation theory when the perturbation series is not-too-ill-behaved, but the Meijer-G resummation is arguably the best resummation, at least for low orders. An especially useful feature of the Meijer-G resummation is when it is unreliable, the predicted energy often has a nonnegligible imaginary part, making it possible to preemptively screen out some unreliable results.
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