Abstract
An ab initio simulation of strong-field photodissociation of diatomic molecules was developed, inspired by recent dissociation experiments of F2-. The transition between electronic states was modeled with thermal initial conditions. Carefully designed absorbing boundary conditions were applied to describe the boundary conditions of the experiment. We studied the influence of field intensity on the direction of the outcoming fragments and laboratory-fixed axis, defined by the field polarization. At high intensities, the angular distribution became more peaked with a marginal influence on kinetic energy release. The study is the first step in a complete simulation of strong field control of photodissociation.
Original language | English |
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Article number | 137845 |
Journal | Chemical Physics Letters |
Volume | 756 |
DOIs | |
State | Published - 1 Oct 2020 |
Externally published | Yes |
Keywords
- Photodissociation
- Quantum simulations
- Velocity mapping
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry