Quantum mechanism in the photodissociation of NaFH complex: A challenge to semiclassical analysis

Yehuda Zeiri; Gil Katz; Ronnie Kosloff; Maria S. Topaler; Donald G. Truhlar; John C. Polanyi

doi:10.1016/S0009-2614(98)01411-0

Quantum mechanism in the photodissociation of NaFH complex: A challenge to semiclassical analysis

Yehuda Zeiri, Gil Katz, Ronnie Kosloff, Maria S. Topaler, Donald G. Truhlar, John C. Polanyi

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

38 Scopus citations

Abstract

The photodissociation of collinear HFNa van der Waals complexes is investigated by quantum mechanical wave packet propagation and by five semiclassical trajectory methods. For this system, with strongly avoided crossing, none of the semiclassical theories is qualitatively correct for either half-lives or the branching ratios. Quantum calculations show a substantial isotope effect.

Original language	English
Pages (from-to)	523-528
Number of pages	6
Journal	Chemical Physics Letters
Volume	300
Issue number	5-6
DOIs	https://doi.org/10.1016/S0009-2614(98)01411-0
State	Published - 12 Feb 1999
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/S0009-2614(98)01411-0

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@article{682c6d7851af45bfb6b84ed31a139dac,

title = "Quantum mechanism in the photodissociation of NaFH complex: A challenge to semiclassical analysis",

abstract = "The photodissociation of collinear HFNa van der Waals complexes is investigated by quantum mechanical wave packet propagation and by five semiclassical trajectory methods. For this system, with strongly avoided crossing, none of the semiclassical theories is qualitatively correct for either half-lives or the branching ratios. Quantum calculations show a substantial isotope effect.",

author = "Yehuda Zeiri and Gil Katz and Ronnie Kosloff and Topaler, {Maria S.} and Truhlar, {Donald G.} and Polanyi, {John C.}",

note = "Funding Information: This work was supported in part by the National Science Foundation (USA) through grant numbers CHE97-25965 and CDA-9502979 the University of Minnesota–IBM Shared Research Project, the National Research Council of Canada, photonics Research Ontario (Canada), and Israel Science Foundation.",

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doi = "10.1016/S0009-2614(98)01411-0",

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T1 - Quantum mechanism in the photodissociation of NaFH complex

T2 - A challenge to semiclassical analysis

AU - Zeiri, Yehuda

AU - Katz, Gil

AU - Kosloff, Ronnie

AU - Topaler, Maria S.

AU - Truhlar, Donald G.

AU - Polanyi, John C.

N1 - Funding Information: This work was supported in part by the National Science Foundation (USA) through grant numbers CHE97-25965 and CDA-9502979 the University of Minnesota–IBM Shared Research Project, the National Research Council of Canada, photonics Research Ontario (Canada), and Israel Science Foundation.

PY - 1999/2/12

Y1 - 1999/2/12

N2 - The photodissociation of collinear HFNa van der Waals complexes is investigated by quantum mechanical wave packet propagation and by five semiclassical trajectory methods. For this system, with strongly avoided crossing, none of the semiclassical theories is qualitatively correct for either half-lives or the branching ratios. Quantum calculations show a substantial isotope effect.

AB - The photodissociation of collinear HFNa van der Waals complexes is investigated by quantum mechanical wave packet propagation and by five semiclassical trajectory methods. For this system, with strongly avoided crossing, none of the semiclassical theories is qualitatively correct for either half-lives or the branching ratios. Quantum calculations show a substantial isotope effect.

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U2 - 10.1016/S0009-2614(98)01411-0

DO - 10.1016/S0009-2614(98)01411-0

M3 - Article

AN - SCOPUS:0000972324

SN - 0009-2614

VL - 300

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EP - 528

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5-6

ER -

Quantum mechanism in the photodissociation of NaFH complex: A challenge to semiclassical analysis

Abstract

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