Migration of holes: Formalism, mechanisms, and illustrative applications
2003; American Institute of Physics; Volume: 118; Issue: 9 Linguagem: Inglês
10.1063/1.1540618
ISSN1520-9032
AutoresJörg Breidbach, Lorenz S. Cederbaum,
Tópico(s)Spectroscopy and Quantum Chemical Studies
ResumoA 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.
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