Classical photodissociation dynamics with Bohr quantization: Application to the fragmentation of a van der Waals cluster

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• 作者：W. Arbelo-Gonzá ; lez^a ; ^b ; ^{wilmer@instec.cu} ; L. Bonnet^a ; ^{l.bonnet@ism.u-bordeaux1.fr} ; P. Larré ; garay^a ; J.-C. Rayez^a ; J. Rubayo-Soneira^b
• 关键词：Photodissociation dynamics ; Classical description ; Standard forward approach ; Gaussian binning ; New backward approach
• 刊名：Chemical Physics
• 出版年：2012
• 期刊代码：18_03010104
• 类别：ch
• 出版时间：3 May, 2012
• 卷：399
• 期：Complete
• 页码：117-121
• 文件大小：321 K

摘要

The recent classical dynamical approach of photodissociations with Bohr quantization [L. Bonnet, J. Chem. Phys. 133 (2010) 174108] is applied for the first time to a realistic process, the photofragmentation of the van der Waals cluster NeBr₂. We illustrate the fact that this approach, formally equivalent to the standard one, may be numerically much more efficient.