Variation of potential energy surface height and bound state depth induced by laser phase along the reaction path in atom-molecule reactions: Application to Li + CH4 → LiH + CH3

Resumo

Laser atom-molecule reaction interaction through polarizability and dipole moment contribution leads to potential energy surface barrier reshaping and bound states along the reaction path. The polarizability is maximum in the transition state. We will show here by using gauge representation (electric field gauge) for wave length λ = 20.6 μm, intensity I = 1 × 10¹² W/cm², I = 5 × 10¹² W/cm², I = 1 × 10¹³ W/cm², I = 3 × 10¹³ W/cm², that we can create laser induced potential energy surface barrier reshaping in the transition state region (–1–0.5 a. u.). We illustrate such effects for the LiH + CH₃ ↔ Li + CH₄ reaction with a barrier using ab-initio methods for calculating the reaction path, polarizability and dipole moment contribution of the atom-molecule reaction.