U.S.-Brazil Cooperative Science Program: Nonlinear Optical Properties of Conjugated Polymers

美国-巴西合作科学计划：共轭聚合物的非线性光学性质

• 批准号: 9217464
• 负责人: Bernard Kirtman
• 金额: $ 2.18万
• 依托单位: University of California-Santa Barbara
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1993
• 资助国家: 美国
• 起止时间: 1993-07-01 至 1996-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9217464&HistoricalAwards=false
• 关键词: U.S.; Brazil; Cooperative; Science; Program

9217464 Kirtman This U.S.-Brazil Cooperative Science award will support the collaboration of Bernard Kirtman of the University of California at Santa Barbara and Celso de Melo of the Federal University of Pernambuco, Brazil. The project aims to investigate the nonlinear optical properties of conjugated polymers. The researchers will formulate theoretical methods that permit an accurate, comprehensive description of these properties, which include distortion due to coupling of vibrations with electronic polarization induced by the oscillatory incident field(s); electron correlation; and non-resonant frequency dispersion. Ab initio quantum chemistry calculations of all three effects will be done for the prototype pi-conjugated polymer, trans- polyacetylene using the finite oligomer approach. A transfer matrix method for circumventing the extrapolations required with this procedure will also be investigated. Both the U.S. and Brazilian sides will gain an understanding of the interaction between high intensity optical radiation and conjugated polymers, which could potentially improve the design of polymeric materials for practical purposes. Students and postdocs on both sides will benefit from training in non-conventional polymer methodologies. ***

9217464 Kirtman美国-巴西合作科学奖将支持加州大学圣巴巴拉分校的Bernard Kirtman和巴西伯南布哥联邦大学的Celso de梅洛的合作。 该项目旨在研究共轭聚合物的非线性光学性质。 研究人员将制定理论方法，允许准确，全面地描述这些特性，其中包括由于振动与振荡入射场引起的电子极化耦合引起的失真;电子相关;和非共振频率色散。 将使用有限低聚物方法对原型π共轭聚合物反式聚乙炔进行所有三种效应的从头计算量子化学计算。 还将研究一种转移矩阵法，以避免采用这一程序所需的外推。 美国和巴西双方都将了解高强度光辐射和共轭聚合物之间的相互作用，这可能会改善聚合物材料的实用设计。 双方的学生和博士后将受益于非传统聚合物方法的培训。 ***