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题名: REACTIVE SCATTERING CALCULATIONS OF COLLINEAR TRIATOMIC SYSTEMS IN HYPERSPHERICAL COORDINATES BY FIRST-ORDER MAGNUS NUMERICAL PROPAGATION METHOD
作者: Sun Qiyan1;  Wu Dayong1;  Lou Nanquan1
刊名: ACTA PHYSICO-CHIMICA SINICA
发表日期: 1988
DOI: 10.3866/PKU.WHXB19880314
卷: 4, 期:3, 页:296-300
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical
研究领域[WOS]: Chemistry
英文摘要: Hyperepherical coordinates are employed in describing collinear triatomic reactive scattering. Close coupling differential equations are obtained by radial piece wise semi adiabatic expansion, and solved by first-order Magnus numerical propagation method with multistep exchange set and reorthogonalization procedures. Applicating to H + H-2 and F + H-2 systems, we obtained good results which are in accordance with results of other method for the same systems.
语种: 英语
WOS记录号: WOS:000207571400014
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139437
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Acad Sinica, Dalian Inst Chem Phys, Dalian, Peoples R China

Recommended Citation:
Sun Qiyan,Wu Dayong,Lou Nanquan. REACTIVE SCATTERING CALCULATIONS OF COLLINEAR TRIATOMIC SYSTEMS IN HYPERSPHERICAL COORDINATES BY FIRST-ORDER MAGNUS NUMERICAL PROPAGATION METHOD[J]. ACTA PHYSICO-CHIMICA SINICA,1988,4(3):296-300.
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