TY - JOUR
T1 - The accuracy of the time-dependent self-consistent-field approximation for inelastic collisions
AU - Henriksen, Niels Engholm
AU - Billing, Gert D.
AU - Hansen, Flemming Yssing
PY - 1992
Y1 - 1992
N2 - We study the accuracy of the time-dependent self-consistent-field approximation for collinear inelastic collisions between an atom and a diatomic molecule. Individual state-to-state transition probabilities, total energy transfer. and the global description of the wavefunction is considered. It is shown that errors in these properties may be very considerable and they depend strongly on the initial form of the wave packet. For the individual state-to-state transition probabilities we show, however, that the errors can be minimized dramatically by a proper choice of the initial average momentum of the wave packet.
AB - We study the accuracy of the time-dependent self-consistent-field approximation for collinear inelastic collisions between an atom and a diatomic molecule. Individual state-to-state transition probabilities, total energy transfer. and the global description of the wavefunction is considered. It is shown that errors in these properties may be very considerable and they depend strongly on the initial form of the wave packet. For the individual state-to-state transition probabilities we show, however, that the errors can be minimized dramatically by a proper choice of the initial average momentum of the wave packet.
U2 - 10.1016/0009-2614(92)80066-K
DO - 10.1016/0009-2614(92)80066-K
M3 - Journal article
SN - 0009-2614
VL - 199
SP - 176
EP - 186
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-2
ER -