Electron Transfer: Decoherence, Delocalization and Electronic Interaction Effects in Molecules

西北大学的Mark Ratner得到了理论和计算化学项目的支持，该项目致力于研究分子中电子转移的理论方法的发展。这项工作有三个主要方面：(1)用密度矩阵形式化方法描述具有多条路径的系统；(2)正在研究多自旋系统中的退相；(3)正在发展建立电子转移第一原理理论的格林函数方法。这项工作正在对我们对一些涉及电子转移的系统的理解产生更广泛的影响，包括光化学和电子系统。拉特纳还继续参与了一些涉及他的研究的外联和教育活动，进一步扩大了其对社会的影响。

Mark Ratner of Northwestern University is supported by an award from the Theoretical and Computational Chemistry program to carry out research on the development of theoretical methods for the study of electron transfer in molecules. There are three major thrusts for the work: (1) a density matrix formalism approach is being used to describe systems with multiple pathways; (2) dephasing in multi-spin systems is being studied; and (3) a Green's functions approach to build a first principle theory of electron transfer is being developed. The work is having a broader impact on our understanding of a number of systems involving electron transfer, including photochemical and electronic systems. Ratner also continues to be involved in a number of outreach and educational activities involving his research, futher broadening its impact on society.