4.6 Article

Polarizability of molecular chains: A self-interaction correction approach

Journal

PHYSICAL REVIEW B
Volume 77, Issue 12, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.77.121204

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Standard density functional approximations greatly overestimate the static polarizability of long-chain polymers, but Hartree-Fock or exact exchange calculations do not. We show that simple self-interaction corrected approximations afford a viable alternative for accurate polarizability calculations within density functional theory.

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