Migration of holes: Formalism, mechanisms, and illustrative applications
The Journal of Chemical PhysicsPublished 14 February 2003
Jörg Breidbach, Lorenz S. Cederbaum
Citations207
SJR quartileQ1
SJR score0.82
SNIP0.91
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Abstract
A hole created in a system, for instance by ionization, can migrate through the system solely driven by electron correlation. The theory describing this migration is derived and cast into a form amenable to ab initio calculations. Three different basic mechanisms of hole migration are presented and analyzed. The results of ab initio calculations on hole migration in realistic systems are discussed. In all cases studied the migration is ultrafast.
Keywords
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