Control of charge migration in molecules by ultrashort laser pulses

被引:65
作者
Golubev, Nikolay V. [1 ]
Kuleff, Alexander I. [1 ]
机构
[1] Heidelberg Univ, Theoret Chem, D-69120 Heidelberg, Germany
来源
PHYSICAL REVIEW A | 2015年 / 91卷 / 05期
关键词
IONIZATION; FEMTOSECOND; DYNAMICS; 2-PHENYLETHYL-N; N-DIMETHYLAMINE; POPULATION; DISSOCIATION; PROPAGATION; SELECTIVITY; REACTIVITY; INVERSION;
D O I
10.1103/PhysRevA.91.051401
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Due to electronic many-body effects, the ionization of a molecule can trigger ultrafast electron dynamics appearing as a migration of the created hole charge throughout the system. Here we propose a scheme to control the charge-migration dynamics with a single ultrashort laser pulse. We demonstrate by fully ab initio calculations on a molecule containing a chromophore and amine moieties that simple pulses can be used to stop the charge-migration oscillations and localize the charge on the desired site of the system. We argue that this control may be used to predetermine the follow-up nuclear rearrangement and thus the molecular reactivity.
引用
收藏
页数:5
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