Local control of non-adiabatic dissociation dynamics

Area of Science:

• Quantum dynamics
• Theoretical chemistry
• Laser control

Background:

• Strong non-adiabatic effects significantly influence molecular dissociation dynamics.
• Optimizing final state distributions requires advanced theoretical control strategies.
• Ultrafast dynamics in systems like HeH+ present significant theoretical challenges.

Purpose of the Study:

• To present a novel theoretical approach for controlling laser excitation.
• To optimize final state distributions in the presence of strong non-adiabatic effects.
• To apply the developed strategy to understand the dissociation of HeH+.

Main Methods:

• Application of local control strategy to projectors based on asymptotic scattering states.
• Development of a time-local formulation capable of accounting for delayed non-adiabatic transitions.
• Simulation of dissociation channels for the helium hydride ion (HeH+).

Main Results:

• The proposed method successfully optimizes final state distributions under strong non-adiabatic conditions.
• The theoretical approach effectively incorporates non-adiabatic transitions occurring at later times.
• Demonstrated application to HeH+ reveals insights into its ultrafast dissociation dynamics.

Conclusions:

• The local control strategy applied to asymptotic scattering states provides an effective means to manage complex quantum dynamics.
• This time-local approach offers a robust framework for controlling molecular processes influenced by non-Born-Oppenheimer effects.
• The study highlights the potential for precise control over dissociation pathways in molecular systems.