Atom-triatom rigid rotor inelastic scattering with the MultiConfiguration Time Dependent Hartree approach

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• 作者：Steve Ndengué ; ^a ; Richard Dawes^a ; ^{dawesr@mst.edu} ; Fabien Gatti^b ; Hans-Dieter Meyer^c
• 关键词：Quantum dynamics ; Inelastic scattering ; Time-dependent ; Close-coupling
• 刊名：Chemical Physics Letters
• 出版年：2017
• 出版时间：16 January 2017
• 年：2017
• 卷：668
• 期：Complete
• 页码：42-46
• 全文大小：1291 K
• 卷排序：668

文摘

A procedure to simulate triatomic molecule/atom scattering using the MCTDH method. Excellent agreement for the H2O-Ar complex between MCTDH and close-coupling results. Relevant procedure to describe triatom/atom scattering from low to high energies.