Author/Authors :
Nakano، نويسنده , , M. and Kiribayashi، نويسنده , , S. Narita-Yamada، نويسنده , , S. and Shigemoto، نويسنده , , I. and Yamaguchi، نويسنده , , K.، نويسنده ,
Abstract :
Static longitudinal second hyperpolarizabilities (γʹs) for one-dimensional Hn models with various bond-length alternations are calculated by the finite-field (FF) ab initio methods. Several electron correlation methods are applied to an assessment of electron-correlation effects on the chain-length dependencies of the γʹs.
Keywords :
Non-linear optical materials , One-dimensional conjugated systems , Ab initio quantum chemical methods
