In this project, ionization and dissociation of nitrogen, methane and formaldehyde molecules through interaction by intense femto-second lasers have been investigated. The optimum shape of laser pulses for dissociation of methane and formaldehyde molecules for controlling the dissociation paths into desired products are obtained. Based on time dependent density functional theory and quantum optimal control theory, the calculations are carried out in intensities at the range of 1014-1016 Wcm-2 with pulse durations of 4 -20fs. Octopus package is used as a powerful computational program. By using, quantum optimal control theory, optimum laser pulses with manipulation of amplitude, phase and...
In this project, ionization and dissociation of nitrogen, methane and formaldehyde molecules through interaction by intense femto-second lasers have been investigated. The optimum shape of laser pulses for dissociation of methane and formaldehyde molecules for controlling the dissociation paths into desired products are obtained. Based on time dependent density functional theory and quantum optimal control theory, the calculations are carried out in intensities at the range of 1014-1016 Wcm-2 with pulse durations of 4 -20fs. Octopus package is used as a powerful computational program. By using, quantum optimal control theory, optimum laser pulses with manipulation of amplitude, phase and...