Design of low band gap polymers employin
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Salzner, U.; Lagowski, J. B.; Pickup, P. G.; Poirier, R. A.
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Article
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1997
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John Wiley and Sons
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English
โ 224 KB
Band gaps in solids and excitation energies in finite systems are underestimated significantly if estimated from differences between eigenvalues ลฝ . obtained within the local spin density approximation LSDA . In this article we present results on 20 small-and medium-sized -systems which show that HO