Browsing by Subject "Density Functional Theory"
Now showing items 1-3 of 3
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(2018-04-09)Department: PhysicsTime-dependent density functional theory (TDDFT) is a widely used, formally exact approach for describing quantum many-body electron dynamics. This approach makes possible the theoretical investigation of laser-driven ...
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(2007-08-17)Department: ChemistryThe significance of being able to reliably establish the structure of chiral molecules is manifested through the recognition that different enantiomers and diastereomers of the same compound can have vastly different effects ...
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(2016-12-12)Department: PhysicsOptical nanostructures are becoming an increasingly important aspect of modern technology. As a result high-resolution experimental techniques as well as nanoscale computational methods have become increasingly important ...