Spin densities and correlations in regular polyene radicals

Soos, Z. G. ; Ramasesha, S. (1983) Spin densities and correlations in regular polyene radicals Physical Review Letters, 51 (26). pp. 2374-2377. ISSN 0031-9007

Full text not available from this repository.

Official URL: http://prl.aps.org/abstract/PRL/v51/i26/p2374_1

Related URL: http://dx.doi.org/10.1103/PhysRevLett.51.2374


Positive and negative ground-state spin densities are obtained exactly for regular Pariser-Parr-Pople radicals up to eleven carbons and Heisenberg antiferromagnetic chains up to fifteen spins. Molecular Pariser-Parr-Pople parameters for the ratio |ρ-+| of total negative and positive spin densities extrapolate to ~0.43 for fifty sites, slightly above the ENDOR value for polyacetylene. Correlations in interacting Heisenberg systems lead to long-range interactions between spin solitons and a shifted midgap state.

Item Type:Article
Source:Copyright of this article belongs to The American Physical Society.
ID Code:39452
Deposited On:12 May 2011 14:24
Last Modified:12 May 2011 14:24

Repository Staff Only: item control page