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

Quantum dynamics simulations

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

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)199-203
Number of pages5
JournalChemical Physics Letters
Volume431
Issue number1-3
DOIs
Publication statusPublished - Nov 11 2006

Fingerprint

Photodissociation
Argon
photodissociation
Energy transfer
energy transfer
argon
Computer simulation
simulation
potential fields
excitation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces
  • Condensed Matter Physics

Cite this

Selective energy and phase transfer in the photodissociation of I2 in argon clusters : Quantum dynamics simulations. / Eshet, H.; Ratner, Mark A; Gerber, R. B.

In: Chemical Physics Letters, Vol. 431, No. 1-3, 11.11.2006, p. 199-203.

Research output: Contribution to journalArticle

@article{29ad912f69b446f984cf85d6ac5c3ff8,
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, {Mark A} and Gerber, {R. B.}",
year = "2006",
month = "11",
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",

}

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, Mark A

AU - Gerber, R. B.

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.

UR - http://www.scopus.com/inward/record.url?scp=33750307944&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33750307944&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2006.09.063

DO - 10.1016/j.cplett.2006.09.063

M3 - Article

VL - 431

SP - 199

EP - 203

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 1-3

ER -