Selective energy and phase transfer in the photodissociation of I2 in argon clusters: Quantum dynamics simulations

H. Eshet; M. A. Ratner; R. B. Gerber

doi:10.1016/j.cplett.2006.09.063

Selective energy and phase transfer in the photodissociation of I₂ in argon clusters: Quantum dynamics simulations

H. Eshet, M. A. Ratner, R. B. Gerber

Northwestern University

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

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	https://doi.org/10.1016/j.cplett.2006.09.063
Publication status	Published - Nov 11 2006

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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title = "Selective energy and phase transfer in the photodissociation of I2 in argon clusters: Quantum dynamics simulations",

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.",

author = "H. Eshet and Ratner, {M. A.} and Gerber, {R. B.}",

note = "Funding Information: We gratefully acknowledge the support of the DFG, Germany, in the framework of the project {\textquoteleft}Analysis and Control of Ultrafast Reactions{\textquoteright} (SFB 450), and thank Professors N. Schwentner, J. Manz and Drs. O. K{\"u}hn, M. G{\"u}hr and E. Fredj for helpful discussions.",

year = "2006",

month = nov,

day = "11",

doi = "10.1016/j.cplett.2006.09.063",

language = "English",

volume = "431",

pages = "199--203",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier",

number = "1-3",

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TY - JOUR

T1 - Selective energy and phase transfer in the photodissociation of I2 in argon clusters

T2 - Quantum dynamics simulations

AU - Eshet, H.

AU - Ratner, M. A.

AU - Gerber, R. B.

N1 - Funding Information: We gratefully acknowledge the support of the DFG, Germany, in the framework of the project ‘Analysis and Control of Ultrafast Reactions’ (SFB 450), and thank Professors N. Schwentner, J. Manz and Drs. O. Kühn, M. Gühr and E. Fredj for helpful discussions.

PY - 2006/11/11

Y1 - 2006/11/11

N2 - 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.

AB - 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.

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JF - Chemical Physics Letters

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