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Summary: Radiation Generated by the Ultrafast Migration of a Positive Charge Following
the Ionization of a Molecular System
Alexander I. Kuleff1,2,* and Lorenz S. Cederbaum1,2
1
Theoretische Chemie, Universita¨t Heidelberg, Im Neuenheimer Feld 229, 69120 Heidelberg, Germany
2
Kavli Institute for Theoretical Physics, University of California, Santa Barbara, California 93106-4030, USA
(Received 23 November 2010; published 31 January 2011)
Electronic many-body effects alone can be the driving force for an ultrafast migration of a positive
charge created upon ionization of molecular systems. Here we show that this purely electronic phenome-
non generates a characteristic IR radiation. The situation when the initial ionic wave packet is produced by
a sudden removal of an electron is also studied. It is shown that in this case a much stronger UV emission
is generated. This emission appears as an ultrafast response of the remaining electrons to the perturbation
caused by the sudden ionization and as such is a universal phenomenon to be expected in every
multielectron system.
DOI: 10.1103/PhysRevLett.106.053001 PACS numbers: 33.20.Āt, 42.65.Re, 82.39.Jn
If a multielectron system is ionized, a question of fun-
damental importance is, how do the remaining electrons
react? How does the created hole change its form and
position as time proceeds due to the interaction with the
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