Article ID Journal Published Year Pages File Type
5374665 Chemical Physics 2011 9 Pages PDF
Abstract
► LR-TDDFT-based trajectory surface hopping with explicit solvent interactions. ► Excited states energies, forces, and nonadiabatic couplings within LR-TDDFT. ► Study of the ultrafast excited state dynamics of [Ru(bpy)3]2+ in water.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Nonadiabatic molecular dynamics with solvent effects: A LR-TDDFT QM/MM study of ruthenium (II) tris (bipyridine) in water
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