Activity: Talk or presentation › Lecture and oral contribution
Description
The performance of Time-Dependent Density Functional Theory (TD-DFT) was demonstrated for a variety of organic chromophores. In most cases, very satisfactory results was obtained, but application to alternant hydrocarbons tends to be problematic. For those compounds, the LCOAO procedure which is developed with particular attention to the so-called pairing properties of alternant systems, is generally succesful.
Period
17 Aug 2009
Event title
Prediction of electronic transitions for organic chromophores
Event type
Conference
Organiser
University of Southern Denmark
Location
Bogense Hotel, DK-5400 Bogense, DenmarkShow on map