Article ID Journal Published Year Pages File Type
5374671 Chemical Physics 2011 7 Pages PDF
Abstract
► A time-dependent generalization of the transition density matrix (TDM) is proposed. ► The time-dependent TDM is approximately calculated using Kohn-Sham wave functions. ► Numerical examples on one-dimensional lattices illustrate how the TDM works. ► Rapid formation and spreading of electron-hole pairs is observed. ► Here, electron interaction effects are less important than quantum confinement.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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