Energy Transfer, Complex Formation and Unimolecular Decay in Few-Body Systems

教授以斯拉是由资助的理论和 计算化学课程，研究能量转移和 使用经典和量子力学的单分子衰变， 离子-中性分子经典碰撞 方法，和电子相关的双激发态的 用半经典方法研究双电子原子。 的目标 项目旨在加强我们对这些过程的理解， 深入了解分子内能量 流动和单分子衰变率，并开发一种新的 接近双电子相关。这些例子 研究的是HOOH分子，Li阳离子与 氮分子和氦原子。 %%% 分子内的能量转移，导致其 分解成碎片，低能碰撞 离子和中性分子之间的相互作用， 失活的振动激发离子，将进行研究 结合了经典力学和量子力学这些是 两个最基本的过程， 在分子内部和分子之间转移。

Professor Ezra is supported by a grant from the Theoretical and Computational Chemistry Program to study energy transfer and unimolecular decay using both classical and quantum mechanics, ion-neutral molecule collisions by classical trajectory methods, and electron correlation in doubly-excited states of two-electron atoms by semiclassical methods. The goals of the project are to enhance our understanding of these processes, to obtain insight into the relation between intramolecular energy flow and unimolecular decay rates, and to develop a novel approach to two-electron correlation. The examples to be studied are the HOOH molecule, the Li positive ion with molecular nitrogen, and the helium atom. %%% The transfer of energy within a molecule, leading up to its dissociation into fragments, and the low-energy collisions between an ion and a neutral molecule, resulting in deactivation of the vibrationally-excited ion, will be studied by a combination of classical and quantum mechanics. These are two of the most fundamental processes by which energy is transferred within and between molecules.