Effect of self-interaction error in the evaluation of the bond length alternation in trans-polyacetylene using density-functional theory
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2047447
Reference29 articles.
1. The effects of electron correlation on the degree of bond alternation and electronic structure of oligomers of polyacetylene
2. Assessment of recently developed density functional approaches for the evaluation of the bond length alternation in polyacetylene
3. A Quantum Chemical View of Density Functional Theory
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