2008•Chemical Physics LettersRequires access

Revisiting the nonlinear optical properties of polybutatriene and polydiacetylene with density functional theory

Éric A. Perpète, Denis Jacquemin, Carlo Adamo, Gustavo E. Scuseria

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Key concepts: Hyperpolarizability, Polyacetylene, Nonlinear optical, Density functional theory, Chemistry, Computational chemistry, Molecular physics, Materials science