摘要
In the framework of the time-dependent local density approximation, applied to valence electrons, coupled non- adiabatically to molecular dynamics of ions, we investigate the microscopic mechanism of collisions between low energetic protons and ethylene. Not only the amount of energy lost by the projectile, but also the electronic and vibronic excitations of the target are identified. We dynamics of the target depends sensitively on the impact find that the energy loss of the proton and excitation energy.
In the framework of the time-dependent local density approximation, applied to valence electrons, coupled non- adiabatically to molecular dynamics of ions, we investigate the microscopic mechanism of collisions between low energetic protons and ethylene. Not only the amount of energy lost by the projectile, but also the electronic and vibronic excitations of the target are identified. We dynamics of the target depends sensitively on the impact find that the energy loss of the proton and excitation energy.
基金
Supported by the National Natural Science Foundation of China under Grant Nos 10575012 and 10435020, the National Basic Research Program of China under Grant No 2010CB832903, and the Doctoral Station Foundation of Ministry of Education of China under Grant No 200800270017.
