Selective energy and phase transfer in the photodissociation of I 2 in argon clusters: Quantum dynamics simulations

Abstract

Photodissociation of I 2 in the I 2Ar 17 cluster is studied by quantum wavepacket simulations, using time-dependent mean-field potentials. It is found that: (a) Initial energy transfer from the I 2 is mostly to three cluster modes, which undergo multiquantum excitation. Several other modes undergo single-quantum excitation. (b) Coherent phase transfer from the I 2 to specific cluster modes is found. (c) Energy transfer from initially-excited modes to the other modes becomes large after 0.6 ps. Phase space interpretation is provided by computed Wigner distributions in time.