作者: Benoît Champagne , Bernard Kirtman
DOI: 10.1016/B978-012513745-4/50073-1
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摘要: Publisher Summary This chapter discusses the theoretical approach to design of organic molecular and polymeric nonlinear optical (NLO) materials. The focus is on determination second- third-order NLO properties, β γ, conjugated molecules polymers in nonresonant regime. At macroscopic level, these properties are known as order (x(2)) (x(3)) susceptibilities. For increasingly large oligomers tending toward limit, system finite transverse perpendicular directions but effectively infinite along longitudinal direction. In latter case, it convenient define hyperpolarizability per unit cell, β/N or γ/N, which, chain length equivalent susceptibility.