Abstract
The suitability of a simple antisymmetrized product of localized geminals (APLG) wave function for the description of ground-state correlation effects for extended systems is studied on the example of cyclic polyenes (annulenes) with 4ν + 2 carbon atoms (ν = 1,2, ...) within the π-electronic approximation. It is demonstrated that the suggested APLG approach accounts for a significant part of the ground-state correlation energy irrespective of the size of the investigated system, but strongly favors bond-alternating structures.
| Original language | English |
|---|---|
| Pages (from-to) | 3027-3033 |
| Number of pages | 7 |
| Journal | Journal of Chemical Physics |
| Volume | 92 |
| Issue number | 5 |
| Publication status | Published - 1 Jan 1990 |