科研之友
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摘要
Electronic many-body effects alone can be responsible for the migration of a positive charge created upon ionization in molecular systems Here, we report an ultrafast charge migration taking place after valence Ionization of the molecule 4-methylphenol. The results obtained by a fully ab initio methodology show that the positive charge localized initially on the methyl group can migrate to the hydroxyl group in less than 2 Is jumping over the whole aromatic ring.
- 出版日期2010-8-26
