화학공학소재연구정보센터
Journal of Chemical Physics, Vol.118, No.6, 2606-2611, 2003
Dynamical ionization of the He-4 trimer: A time-dependent modeling of its fragmentation
He-4 trimer 3D-photoionization has been studied using a new quantum time-dependent model based on a wavelet expansion of the time-dependent vibrational self-consistent-field equations. Dissociation probabilities and final vibrational populations of the fragment molecules, together with time-snapshots of the angular distributions during fragmentation, are analyzed. Special emphasis is given to the internal vibrational rearrangements occurring during the fragmentation process following the photoionization event. Our calculations found (He-2(+))* to be preferentially formed in one of its vibrationally excited states and also that the amount of (He-3(+))* surviving the fragmentation, is mostly left in vibrationally excited states involving its ionic part. (C) 2003 American Institute of Physics.