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 language | English |
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Pages (from-to) | 347-355 |
Number of pages | 9 |
Journal | Bulletin of the Korean Chemical Society |
Volume | 39 |
Issue number | 3 |
DOIs | |
State | Published - Mar 2018 |
Keywords
- Electron correlation energy
- Perturbation theory