Browsing by Keywords "Time-dependent density functional theory"

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Investigation of charge carriers in doped thiophene oligomers through theoretical modeling of their UV/Vis spectra

Salzner, U. (2008)

The nature of the charge carriers in conducting organic polymers (COPs) is a long standing problem. Polythiophene is one of the prototypes of COPs and intensively studied. Because doping leads to changes in UV/vis spectra ...
Tuned range-separated hybrids in density functional theory

Baer, R.; Livshits, E.; Salzner, U. (2010)

We review density functional theory (DFT) within the Kohn-Sham (KS) and the generalized KS (GKS) frameworks from a theoretical perspective for both time-independent and time-dependent problems. We focus on the use of ...