A quantum-chemical INDO/CI method for calculating two-photon cross sections

作者：Zhou YF^*; Wang XM; Zhao X; Jiang MH

来源：Journal of Physics and Chemistry of Solids, 2001, 62(6): 1075-1079.

DOI：10.1016/S0022-3697(00)00283-3

• optical materials
• organic compounds
• electronic structure
• optical properties

Materials with large two-photon absorption (TPA) cross section are now gaining increasing attention since these can be exploited in a number of optical applications. In this paper, on the basis of a quantum-chemical INDO/CI method and by using the sum-over-states (SOS) expression, the theoretical predications on the TPA properties for a series of stilbene derivatives were performed. Some mechanism of effect on the TPA property is discussed and the results will provide theoretical basis for those dyes applied as TPA devices.

• 出版日期2001-6
• 单位山东大学