| Issue |
Europhys. Lett.
Volume 69, Number 6, March 2005
|
|
|---|---|---|
| Page(s) | 906 - 912 | |
| Section | Atomic and molecular physics | |
| DOI | https://doi.org/10.1209/epl/i2004-10428-6 | |
| Published online | 11 February 2005 | |
A modified coupled-cluster–based investigation of delocalization in tight-binding Hamiltonians
Laboratoire de Chimie, Ecole normale supérieure de Lyon 46 allée d'Italie, 69364 Lyon Cedex 07, France
Received:
27
September
2004
Accepted:
11
January
2005
The nature of delocalization in a 1D system ruled by a tight-binding Hamiltonian is investigated. Using a local evaluation of the ground-state energy, it is shown that the range of the delocalization effects is rather limited. The method is applied to 1/2- and 1/4-filled systems.
PACS: 31.15.Dv – Coupled-cluster theory / 31.15.Ne – Self-consistent-field methods / 71.15.Nc – Total energy and cohesive energy calculations
© EDP Sciences, 2005
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