Kenneth Lopata

We show that applying a few-femtosecond midinfrared laser pulse parallel to the backbone of a halogenated, conjugated organic molecule induces localized ionization followed by long-lasting field-free charge migration (CM). Through time-dependent density-functional theory calculations, we find that this CM is robust with respect to the parameters of the applied laser pulse.

Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Phys. Chem. A 2024, XXXX, XXX RETURN TO ARTICLES ASAPA: Structure, Spectr...A: Structure, Spectroscopy, and Reactivity of Molecules and ClustersNEXT * , , Kenneth Lopata Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, United States Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803, United States , Kenneth J.

Attosecond Charge Migration with TDDFT: Accurate Dynamics from a Well Defined Initial State Kenneth Lopata, Video: Attosecond Charge Migration with TDDFT: Accurate Dynamics from a Well Defined Initial State Kenneth Lopata, Video: Attosecond Charge Migration with TDDFT: Accurate Dynamics from a Well Defined Initial State Kenneth Lopata, Attosecond Charge Migration with TDDFT: Accurate Dynamics from a Well Defined Initial State, Mathematical and Numerical Methods for Time-Dependent Quantum...