We have developed an approach, based on time-dependent density functional theory (TDDFT), to study ionization and fragmentation processes that occur when molecules are irradiated by intense laser pulses. Current interests include studying the irradiation dynamics in biomolecules and studying the response of enantiomers during irradiation of chiral molecules.
Researcher: Dan Dundas
- P. Mulholland & D. Dundas, Phys Rev A, 97 043428 (2018)
- D. Dundas, P. Mulholland, A. Wardlow & A. de la Calle, Phys Chem Chem Phys, 19 19619 (2017)
- A. Wardlow & D. Dundas, Phys Rev A, 93 023428 (2016)
- D. Dundas, Journal of Chemical Physics, 136 194303 (2012)
The basis of these strands is a time-dependent density functional theory approach implemented in a real space, massively parallel computer code called EDAMAME (Ehrenfest DynAMics on Adaptive MEshes).