DFT Studies on Protonethylene Collisions

In the framework of the timedependent localdensity approximation (TDLDA)，which applied to valence electrons， coupled nonadiabatically to molecular dynamics of ions， the microscopic mechanisms of collisions between energetic protons and ethylene are studied. Not only the amount of energy lost of the projectile， but also the electron and vibration excitations of the target are identified. In addition， the influences of the collision orientation on the energy loss of the proton and excitation dynamics of ethylene are discussed. It is found that the ionization is enhanced and more electrons are captured by the proton when the proton with the impact energy less than 250 eV moves perpendicularly to the molecular plane. A strong relation between the proton energy lost and the impact orientation is obtained when the impact energy is larger than 250 eV.