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Abstract: Standard density functional approximations greatly over-estimate the staticpolarizability of longchain polymers, but Hartree-Fock or exact exchangecalculations do not. Simple self-interaction corrected SIC approximations canbe even better than exact exchange, while their computational cost can scaleonly linearly with the number of occupied orbitals.



Autor: C. D. Pemmaraju, S. Sanvito, K. Burke

Fuente: https://arxiv.org/







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