Theoretical study on collision dynamics of H+ + H2O at low energies

doi:10.1080/00268976.2017.1380858

	Theoretical study on collision dynamics of H+ + H2O at low energies
	Zhao, Rui-Ting 1,2; Zhang, Nan 1,2; Zhang, Feng-Shou 1,2,3
刊名	MOLECULAR PHYSICS
	2018
卷号	116 页码:231-241
关键词	Reaction channel fragmentation process scattering properties rainbow angle energy loss
ISSN号	0026-8976
DOI	10.1080/00268976.2017.1380858
英文摘要	Scattering dynamics of a water molecule in collision with proton is studied based on a time-dependent density functional theory and coupled with the molecular dynamics method, in which the electrons are described by quantum mechanics and the nuclei are described by classical mechanics. Four different incident directions at 46 eV are chosen in order to investigate the orientations effect, and the energy-dependent effect in low energy region is explored under impact energies 27, 36 and 46 eV. Reaction channels, scattering angles and energy loss of protons are calculated. The differences between those characteristics are unobvious in large impact parameters, which are irrespective of the incident orientations due to weak projectile-target interaction. In small impact parameters, the results strongly depend on the collision energy and orientation. [GRAPHICS] .
资助项目	National Natural Science Foundation of China[11635003] ; National Natural Science Foundation of China[11025524] ; National Natural Science Foundation of China[11161130520] ; National Basic Research Program of China[2010CB832903] ; European Commissions 7th Framework Programme (Fp7-PEOPLE-IRSES)[269131]
WOS关键词	RESOLVED INELASTIC-SCATTERING ; DENSITY-FUNCTIONAL APPROACH ; CHARGE-TRANSFER ; CROSS-SECTIONS ; WATER-VAPOR ; ELECTRON-CAPTURE ; VIBRATIONAL-EXCITATION ; METAL-CLUSTERS ; PROTON IMPACT ; ENERGY
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	TAYLOR & FRANCIS LTD
WOS记录号	WOS:000427828100010
资助机构	National Natural Science Foundation of China ; National Basic Research Program of China ; European Commissions 7th Framework Programme (Fp7-PEOPLE-IRSES)
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/47428]
专题	中国科学院近代物理研究所
通讯作者	Zhang, Feng-Shou
作者单位	1.Beijing Normal Univ, Coll Nucl Sci & Technol, Minist Educ, Key Lab Beam Technol & Mat Modificat, Beijing 100875, Peoples R China 2.Beijing Radiat Ctr, Beijing 100875, Peoples R China 3.Natl Lab Heavy Ion Accelerator Lanzhou, Ctr Theoret Nucl Phys, Lanzhou 730000, Peoples R China
推荐引用方式 GB/T 7714	Zhao, Rui-Ting,Zhang, Nan,Zhang, Feng-Shou. Theoretical study on collision dynamics of H+ + H2O at low energies[J]. MOLECULAR PHYSICS,2018,116:231-241.
APA	Zhao, Rui-Ting,Zhang, Nan,&Zhang, Feng-Shou.(2018).Theoretical study on collision dynamics of H+ + H2O at low energies.MOLECULAR PHYSICS,116,231-241.
MLA	Zhao, Rui-Ting,et al."Theoretical study on collision dynamics of H+ + H2O at low energies".MOLECULAR PHYSICS 116(2018):231-241.