Abstract
Photodissociation of I2 in the I2Ar17 cluster is studied by quantum wavepacket simulations, using time-dependent mean-field potentials. It is found that: (a) Initial energy transfer from the I2 is mostly to three cluster modes, which undergo multiquantum excitation. Several other modes undergo single-quantum excitation. (b) Coherent phase transfer from the I2 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.
| Original language | English |
|---|---|
| Pages (from-to) | 199-203 |
| Number of pages | 5 |
| Journal | Chemical Physics Letters |
| Volume | 431 |
| Issue number | 1-3 |
| DOIs | |
| Publication status | Published - Nov 11 2006 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
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Eshet, H., Ratner, M. A., & Gerber, R. B. (2006). Selective energy and phase transfer in the photodissociation of I2 in argon clusters: Quantum dynamics simulations. Chemical Physics Letters, 431(1-3), 199-203. https://doi.org/10.1016/j.cplett.2006.09.063