Barry K. Carpenter, Gregory S. Ezra, Stavros C. Farantos, Zeb C. Kramer, Stephen Wiggins, “Dynamics on the Double Morse Potential: A Paradigm for Roaming Reactions with no Saddle Points”, Regul. Chaotic Dyn., 23:1 (2018), 60

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Regular and Chaotic Dynamics, 2018, Volume 23, Issue 1, Pages 60–79
DOI: https://doi.org/10.1134/S1560354718010069 (Mi rcd309)

This article is cited in 8 scientific papers (total in 8 papers)

Dynamics on the Double Morse Potential: A Paradigm for Roaming Reactions with no Saddle Points

Barry K. Carpenter^a, Gregory S. Ezra^b, Stavros C. Farantos^c, Zeb C. Kramer^d, Stephen Wiggins^e

^a School of Chemistry, Cardiff University, Cardiff, CF10 3AT, United Kingdom
^b Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853-1301, United States
^c Institute of Electronic Structure and Laser, Foundation for Research and Technology–Hellas, and Department of Chemistry, University of Crete, Iraklion, 711 10, Greece
^d Department of Chemistry and Biochemistry, La Salle University, 1900 West Olney Avenue, Philadelphia, PA 19141, United States
^e School of Mathematics, University of Bristol, Bristol, BS8 1TW, United Kingdom

Citations (8)

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DOI: https://doi.org/10.1134/S1560354718010069

Abstract: In this paper we analyze a two-degree-of-freedom Hamiltonian system constructed from two planar Morse potentials. The resulting potential energy surface has two potential wells surrounded by an unbounded flat region containing no critical points. In addition, the model has an index one saddle between the potential wells. We study the dynamical mechanisms underlying transport between the two potential wells, with emphasis on the role of the flat region surrounding the wells. The model allows us to probe many of the features of the “roaming mechanism” whose reaction dynamics are of current interest in the chemistry community.

Keywords: Double Morse potential, phase space structure, dynamics, periodic orbit, roaming.

Funding agency	Grant number
Office of Naval Research	N00014-01-1-0769
Engineering and Physical Sciences Research Council	EP/P021123/1
SW acknowledges the support of ONR Grant No. N00014-01-1-0769. SW and BKC acknowledge the support of EPSRC Grant No. EP/P021123/1.

Received: 19.09.2017
Accepted: 15.12.2017

Bibliographic databases:

Document Type: Article

MSC: 37Axx, 37Jxx, 37Nxx, 37N20

Language: English

Citation: Barry K. Carpenter, Gregory S. Ezra, Stavros C. Farantos, Zeb C. Kramer, Stephen Wiggins, “Dynamics on the Double Morse Potential: A Paradigm for Roaming Reactions with no Saddle Points”, Regul. Chaotic Dyn., 23:1 (2018), 60–79

Citation in format AMSBIB

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\by Barry K. Carpenter, Gregory S. Ezra, Stavros C. Farantos, Zeb C. Kramer, Stephen Wiggins

\paper Dynamics on the Double Morse Potential: A Paradigm for Roaming Reactions with no Saddle Points

\jour Regul. Chaotic Dyn.

\yr 2018

\vol 23

\issue 1

\pages 60--79

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Linking options:

https://www.mathnet.ru/eng/rcd309

https://www.mathnet.ru/eng/rcd/v23/i1/p60

This publication is cited in the following 8 articles:

Malcolm Hillebrand, Matthaios Katsanikas, Stephen Wiggins, Charalampos Skokos, “Navigating phase space transport with the origin-fate map”, Phys. Rev. E, 108:2 (2023)
R. J. Shannon, H. M. Deeks, E. Burfoot, E. Clark, A. J. Jones, A. J. Mulholland, D. R. Glowacki, “Exploring human-guided strategies for reaction network exploration: interactive molecular dynamics in virtual reality as a tool for citizen scientists”, J. Chem. Phys., 155:15 (2021), 154106
R. J. Shannon, E. Martinez-Nunez, D. V. Shalashilin, D. R. Glowacki, “Chemdyme: kinetically steered, automated mechanism generation through combined molecular dynamics and master equation calculations”, J. Chem. Theory Comput., 17:8 (2021), 4901–4912
F. G. Montoya, V. J. Garcia-Garrido, B. Aguilar-Sanjuan, S. Wiggins, “Transport and roaming on the double van der Waals potential energy surface”, Commun. Nonlinear Sci. Numer. Simul., 102 (2021), 105917
F. Palazzetti, P.-Yu. Tsai, “Photodissociation dynamics of CO-forming channels on the ground-state surface of methyl formate at 248 nm: direct dynamics study and assessment of generalized multicenter impulsive models”, J. Phys. Chem. A, 125:5 (2021), 1198–1220
F. G. Montoya, S. Wiggins, “Revealing roaming on the double Morse potential energy surface with Lagrangian descriptors”, J. Phys. A-Math. Theor., 53:23 (2020), 235702
Zh. Yang, C. S. Jamieson, X.-S. Xue, M. Garcia-Borras, T. Benton, X. Dong, F. Liu, K. N. Houk, “Mechanisms and dynamics of reactions involving entropic intermediates”, Trends Chem., 1:1, SI (2019), 22–34
Katsanikas M., Wiggins S., “Phase Space Structure and Transport in a Caldera Potential Energy Surface”, Int. J. Bifurcation Chaos, 28:13 (2018), 1830042

Citing articles in Google Scholar: Russian citations, English citations
Related articles in Google Scholar: Russian articles, English articles

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