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

Chemistry (Twin Cities)

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 (US)
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 - Feb 12 1999

Bibliographical 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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AU - Truhlar, Donald G.

AU - Polanyi, John C.

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

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