Chemia kwantowa w molekularnej optyce nieliniowej
Journal Title: Wiadomości Chemiczne - Year 2012, Vol 66, Issue 1
Abstract
We review quantum-chemical methodologies based on simple two- and three- state models for molecular hyperpolarizabilities and two-photon cross-sections. In this article we show that simplified few-state models, obtained from sum -over-states formalism, are important tools for investigations structure-property relationships for various type of đ-conjugated compounds. These relationships are important for rational design of molecules with large nonlinear optical response
Authors and Affiliations
Małgorzata Wielgus, Justyna Kozłowska, Wojciech Bartkowiak
Keywords
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