Meijer-G and other resummation strategies for the Møller–Plesset perturbation series
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.
Authors
- Paul W. Ayers (ORCID: https://orcid.org/0000-0003-2605-3883)
- Chunying Rong (ORCID: https://orcid.org/0000-0002-7467-8039)
- Yilin Zhao (ORCID: https://orcid.org/0000-0003-1250-2764)
- Wenbiao Zhang (ORCID: https://orcid.org/0009-0008-9851-6414)
Institutions
- Hunan Normal University (CN)
- McMaster University (CA)
Publication Details
- Journal
- The Journal of Chemical Physics
- Published
- 2024-11-21
- DOI
- https://doi.org/10.1063/5.0238490
- Citations
- 1
- Primary Topic
- Advanced Chemical Physics Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.34