Resummation of the brillouin-wigner perturbation series

Seunghoon Lee, Cheol Ho Choi, Sangyoub Lee

Research output: Contribution to journalArticlepeer-review

Abstract

We present a new method of resumming the Brillouin-Wigner perturbation series with Epstein-Nesbet partitioning. Both the nondegenerate and quasi-degenerate cases are considered. We illustrate the accuracy of the proposed resummed Brillouin-Wigner perturbation theory for selected atoms and small molecules, as well as a simple model system like the quartic anharmonic oscillator. For the electronic structure problems, it is found that the present theory provides essentially the same results as the corresponding configuration-interaction calculations at the level of the fourth-order calculations.

Original languageEnglish
Pages (from-to)347-355
Number of pages9
JournalBulletin of the Korean Chemical Society
Volume39
Issue number3
DOIs
StatePublished - Mar 2018

Keywords

  • Electron correlation energy
  • Perturbation theory

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