Abstract
Benzene type rings and linear chains are investigated in the PPP approximation. The configuration interaction method and the many-body perturbation theory are used to describe electroncorrelation effects. A wavefunction analysis is given and the energy contribution of Hugenholtz diagrams is discussed. We have also investigated the applicability of the size effect correction formula given byPople et al.
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Dedicated to Prof.R. Gáspár on his 60th birthday
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Pipek, J. Correlation effects on some six membered rings and some cyclic linear chains. Acta Physica 51, 31–40 (1981). https://doi.org/10.1007/BF03155562
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DOI: https://doi.org/10.1007/BF03155562