Ab initio finite oligomer method for non
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Teressa Tangredi Toto; Joseph L. Toto; Celso P. de Melo; Muhammad Hasan; Bernard
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Article
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1995
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Elsevier Science
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English
β 472 KB
We continue our development of the finite oligomer method for computing nonlinear optical properties of conjugated polymers. Using polyacetylene as an example it is shown how the effect of electron correlation on the static longitudinal hyperpolarizability can be accurately determined from calculati