Coupled-cluster singles and doubles for extended systems.

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Summary

The AO-based t1 amplitudes appear to correlate strongly with the electronic structure, and they decay seemingly exponentially for polyethylene whereas they stay at a constant magnitude across the seventh nearest neighbors of polyacetylene and polyyne, which attests to far reaching effects of nondynamical electron correlation mediated by orbital rotation.

Type
article
Published
2004-02-10
Cited by
155
References
67

Keywords

Dentistry, Orthodontics, Geology, Mathematics, Medicine

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