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Title: Geometric Phase Appears in the Ultracold Hydrogen Exchange Reaction

Abstract

In this work, quantum reactive scattering calculations for the hydrogen exchange reaction H + H2(v = 4, j = 0) → H + H2(v', j') and its isotopic analogues are reported for ultracold collision energies. Because of the unique properties associated with ultracold collisions, it is shown that the geometric phase effectively controls the reactivity. The rotationally resolved rate coefficients computed with and without the geometric phase are shown to differ by up to 4 orders of magnitude. The effect is also significant in the vibrationally resolved and total rate coefficients. Finally, the dynamical origin of the effect is discussed and the large geometric phase effect reported here might be exploited to control the reactivity through the application of external fields or by the selection of a particular nuclear spin state.

Authors:
ORCiD logo [1];  [2];  [2]
+ Show Author Affiliations
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Univ. of Nevada, Las Vegas, NV (United States)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
1457248
Alternate Identifier(s):
OSTI ID: 1223148
Report Number(s):
LA-UR-15-24804
Journal ID: ISSN 0031-9007; PRLTAO; TRN: US1901331
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 115; Journal Issue: 15; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
73 NUCLEAR PHYSICS AND RADIATION PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Kendrick, Brian Kent, Hazra, Jisha, and Balakrishnan, Naduvalath. Geometric Phase Appears in the Ultracold Hydrogen Exchange Reaction. United States: N. p., 2015. Web. doi:10.1103/PhysRevLett.115.153201.
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Kendrick, Brian Kent, Hazra, Jisha, & Balakrishnan, Naduvalath. Geometric Phase Appears in the Ultracold Hydrogen Exchange Reaction. United States. https://doi.org/10.1103/PhysRevLett.115.153201
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Kendrick, Brian Kent, Hazra, Jisha, and Balakrishnan, Naduvalath. Thu . "Geometric Phase Appears in the Ultracold Hydrogen Exchange Reaction". United States. https://doi.org/10.1103/PhysRevLett.115.153201. https://www.osti.gov/servlets/purl/1457248.
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@article{osti_1457248,
title = {Geometric Phase Appears in the Ultracold Hydrogen Exchange Reaction},
author = {Kendrick, Brian Kent and Hazra, Jisha and Balakrishnan, Naduvalath},
abstractNote = {In this work, quantum reactive scattering calculations for the hydrogen exchange reaction H + H2(v = 4, j = 0) → H + H2(v', j') and its isotopic analogues are reported for ultracold collision energies. Because of the unique properties associated with ultracold collisions, it is shown that the geometric phase effectively controls the reactivity. The rotationally resolved rate coefficients computed with and without the geometric phase are shown to differ by up to 4 orders of magnitude. The effect is also significant in the vibrationally resolved and total rate coefficients. Finally, the dynamical origin of the effect is discussed and the large geometric phase effect reported here might be exploited to control the reactivity through the application of external fields or by the selection of a particular nuclear spin state.},
doi = {10.1103/PhysRevLett.115.153201},
journal = {Physical Review Letters},
number = 15,
volume = 115,
place = {United States},
year = {Thu Oct 08 00:00:00 EDT 2015},
month = {Thu Oct 08 00:00:00 EDT 2015}
}
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https://doi.org/10.1103/PhysRevLett.115.153201
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    Works referencing / citing this record:

    Tunneling chemical exchange reaction D + HD → D 2 + H in solid HD and D 2 at temperatures below 1 K
    journal, January 2016

    • Sheludiakov, S.; Ahokas, J.; Järvinen, J.
    • Physical Chemistry Chemical Physics, Vol. 18, Issue 42
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    Controlling rotational quenching rates in cold molecular collisions
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    • Croft, J. F. E.; Balakrishnan, N.
    • The Journal of Chemical Physics, Vol. 150, Issue 16
    • DOI: 10.1063/1.5091576

    Observation of the geometric phase effect in the H + HD → H 2 + D reaction
    journal, December 2018

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