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Title: Geometric Phase Effects in Ultracold Chemical Reactions

Abstract

The role of the geometric phase effect in chemical reaction dynamics has long been a topic of active experimental and theoretical investigations. The topic has received renewed interest in recent years in cold and ultracold chemistry where it was shown to play a decisive role in state-to-state chemical dynamics. We provide a brief review of these developments focusing on recent studies of O + OH and hydrogen exchange in the H + H 2 and D + HD reactions at cold and ultracold temperatures. Non-adiabatic effects in ultracold chemical dynamics arising from the conical intersection between two electronic potential energy surfaces are also briefly discussed. By taking the hydrogen exchange reaction as an illustrative example it is shown that the inclusion of the geometric phase effect captures the essential features of non-adiabatic dynamics at collision energies below the conical intersection.

Authors:
ORCiD logo; ORCiD logo
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
1530916
Alternate Identifier(s):
OSTI ID: 1570645
Report Number(s):
LA-UR-19-23245
Journal ID: ISSN 2218-2004; ATOMC5; PII: atoms7030065
Grant/Contract Number:  
20170221ER; 89233218CNA000001
Resource Type:
Published Article
Journal Name:
Atoms
Additional Journal Information:
Journal Name: Atoms Journal Volume: 7 Journal Issue: 3; Journal ID: ISSN 2218-2004
Publisher:
MDPI
Country of Publication:
Switzerland
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; ultracold molecules; ultracold chemistry; ultracold reactions; geometric phase effect; controlled chemistry

Citation Formats

Kendrick, Brian K., and Balakrishnan, N. Geometric Phase Effects in Ultracold Chemical Reactions. Switzerland: N. p., 2019. Web. doi:10.3390/atoms7030065.
Kendrick, Brian K., & Balakrishnan, N. Geometric Phase Effects in Ultracold Chemical Reactions. Switzerland. doi:10.3390/atoms7030065.
Kendrick, Brian K., and Balakrishnan, N. Wed . "Geometric Phase Effects in Ultracold Chemical Reactions". Switzerland. doi:10.3390/atoms7030065.
@article{osti_1530916,
title = {Geometric Phase Effects in Ultracold Chemical Reactions},
author = {Kendrick, Brian K. and Balakrishnan, N.},
abstractNote = {The role of the geometric phase effect in chemical reaction dynamics has long been a topic of active experimental and theoretical investigations. The topic has received renewed interest in recent years in cold and ultracold chemistry where it was shown to play a decisive role in state-to-state chemical dynamics. We provide a brief review of these developments focusing on recent studies of O + OH and hydrogen exchange in the H + H 2 and D + HD reactions at cold and ultracold temperatures. Non-adiabatic effects in ultracold chemical dynamics arising from the conical intersection between two electronic potential energy surfaces are also briefly discussed. By taking the hydrogen exchange reaction as an illustrative example it is shown that the inclusion of the geometric phase effect captures the essential features of non-adiabatic dynamics at collision energies below the conical intersection.},
doi = {10.3390/atoms7030065},
journal = {Atoms},
number = 3,
volume = 7,
place = {Switzerland},
year = {2019},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.3390/atoms7030065

Figures / Tables:

Figure 1 Figure 1: Direct and looping pathways for the O + OH reaction illustra(tBin)g the number of bound states supported in the effective potentials along each pathway. Reproduced with permission from Kendrick et al.

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    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.