Abstract
SynopsisWe report on the dynamics of photoexcitation and photoionization induced by ultrashort strong optical pulses in two medium sized polyatomic molecules, 1-azabicyclo[2,2,2]octane and caffeine. The time-dependent Schrödinger equation is solved for an electronic Hamiltonian that includes the interaction with the strong pulse. The partitioning technique is applied to include both the neutral and the ionized subspaces.
Highlights
- Refining the Transit-timing and Photometric Analysis of TRAPPIST-1: Masses, Radii, Densities, Dynamics, and Ephemerides Eric Agol, Caroline Dorn, Simon L
Synopsis We report on the dynamics of photoexcitation and photoionization induced by ultrashort strong optical pulses in two medium sized polyatomic molecules, 1-azabicyclo[2,2,2]octane and caffeine
To describe the dynamics of these processes, we solve the time-dependent Schrodinger equation for an electronic Hamiltonian that includes the interaction with the strong pulse within the partitioning approach, so that both the neutral and the ionized subspaces are taken into account
Summary
- Refining the Transit-timing and Photometric Analysis of TRAPPIST-1: Masses, Radii, Densities, Dynamics, and Ephemerides Eric Agol, Caroline Dorn, Simon L. Photoinduced Ultrafast Electronic Dynamics in Polyatomic Molecules: A time-dependent computational study To cite this article: Astrid Nikodem and Françoise Remacle 2015 J.
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