Aktivitet: Tale eller præsentation › Foredrag og mundtlige bidrag
Beskrivelse
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.
Periode
17 aug. 2009
Begivenhedstitel
Prediction of electronic transitions for organic chromophores
Begivenhedstype
Konference
Arrangør
Syddansk Universitet
Placering
Bogense Hotel, DK-5400 Bogense, DanmarkVis på kort