Differential cross sections for four-atom reactions in full dimensions

	Differential cross sections for four-atom reactions in full dimensions
	Zhang DH(张东辉)
	2011
会议名称	3rd chinese french worlshop in theoretical chemistry
会议日期	2011-10-9
会议地点	la colle sur loup
其他题名	全维四原子体系微分反应截面
页码	56-0
通讯作者	张东辉
中文摘要	differential cross sections (dcs) of chemical reactions characterize the effective target area of the colliding reactants that leads to scattering of reaction products into a particular angle range. they are the most detailed observables that can be experimentally measured. to obtain dcs theoretically, one needs to solve schrödinger equations for nuclear motions on a given potential energy surface. for the past decades, quantum dynamical theories have enjoyed great success for computing dcs for atom-diatom systems. given an accurate potential energy surface for an atom-diatom reaction, quantum scattering theory is now able to provide dynamical quantities that compete in accuracy with state-of-the-art experiments. we have recently developed a quantum wave packet method to compute full dimensional differential cross sections for four-atom reaction. in the talk, i will present benchmark calculations carried out for the prototypical hd+oh → h2o+d reaction on an accurate potential energy surface that yield differential cross sections in excellent agreement with those from a high-resolution, crossed-molecular beam experiment[1]. 1. c. xiao, et al, science 333, 440 (2011)
合作状况	特邀报告
会议主办者	french theoretical chemistry network
会议录	3rd chinese french worlshop in theoretical chemistry
会议录出版者	待补充
会议录出版地	待补充
学科主题	物理化学
内容类型	会议论文
源URL	[http://159.226.238.44/handle/321008/115974]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
推荐引用方式 GB/T 7714	Zhang DH. Differential cross sections for four-atom reactions in full dimensions[C]. 见:3rd chinese french worlshop in theoretical chemistry. la colle sur loup. 2011-10-9.