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AB Initio Calculation of the Polarizability and Hyperpolarizabilrties of Infinite Periodic Polymers by the Sum-Overstates approach
Published online by Cambridge University Press: 25 February 2011
Abstract
We investigate the applicability of the Genkin-Mednis perturbative approach to the ab initio calculation of the static (hyper)polarizabilities of infinite periodic polymers. Test calculations on molecular hydrogen and polyacetylene chains are presented to assess some of the computational problems inherent to the method.
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- Copyright © Materials Research Society 1988
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