Molecular Relaxation and Radiative Processes

Shaul Mukamel得到了理论和计算化学计划的资助，继续他在分子弛豫和辐射过程方面的研究。 他将继续他的理论方法的设计和系统的解释多维飞秒相关光谱耦合本地化振动或电子发色团系统的发展。 多脉冲NMR技术的可见光和红外模拟物为复杂分子组装体的结构以及动力学、相互作用和弛豫过程提供了新的快照探针。 基本的理论概念的基础技术，涉及分子响应序列的形状和定时辐射脉冲将被开发。 将测试模拟非线性响应函数的半经典方法。 一个经典的振荡器描述的光谱将被开发，设置阶段，设计新的脉冲序列，实现相同的目标，他们的NMR类似物，并提供一个框架，计算和解释多维signals.The脉冲激光技术的出现结合使用非线性光学技术，导致了大量的新方法来探测气相和凝聚相分子系统。 Mukamel正在开发理论技术，这些技术对于解释从这些实验中获得的数据至关重要。 这些解释导致了许多重要的见解，关于化学反应和溶剂化的影响，在凝聚相系统，可以应用到理解生物系统。

Shaul Mukamel is supported by a grant from the Theoretical and Computational Chemistry Program to continue his research in molecular relaxation and radiative processes. He will continue his development of theoretical methods for the design and systematic interpretation of multidimensional femtosecond correlation spectroscopies in systems of coupled localized vibrational or electronic chromophores. Visible and infrared analogues of multiple-pulse NMR techniques provide novel snapshot probes into the structure as well as dynamics, interactions and relaxation processes of complex molecular assemblies. The fundamental theoretical concepts underlying techniques involving molecular responses to sequences of shaped and timed radiation pulses will be developed. Semiclassical methods for simulating nonlinear response functions will be tested. A classical-oscillator description of the spectroscopies will be developed, setting the stage for designing new pulse sequences that accomplish the same goals as their NMR analogues and providing a framework for computing and interpreting multidimensional signals.The advent of pulsed laser technology combined with the use of non-linear optical techniques has led to a large number of new methods to probe gas-phase and condensed-phase molecular systems. Mukamel is developing theoretical techniques that are central to the interpretation of the data obtained from these experiments. These interpretations lead to many important insights regarding chemical reactions and the effects of solvation in condensed phase systems that can have application to understanding biological systems.