skip to main content

DOE PAGESDOE PAGES

Title: Universality and chaoticity in ultracold K+KRb chemical reactions

A fundamental question in the study of chemical reactions is how reactions proceed at a collision energy close to absolute zero. This question is no longer hypothetical: quantum degenerate gases of atoms and molecules can now be created at temperatures lower than a few tens of nanokelvin. Here we consider the benchmark ultracold reaction between, the most-celebrated ultracold molecule, KRb and K. We map out an accurate ab initio ground-state potential energy surface of the K 2Rb complex in full dimensionality and report numerically-exact quantum-mechanical reaction dynamics. The distribution of rotationally resolved rates is shown to be Poissonian. An analysis of the hyperspherical adiabatic potential curves explains this statistical character revealing a chaotic distribution for the short-range collision complex that plays a key role in governing the reaction outcome.
Authors:
 [1] ;  [2] ;  [2] ;  [3] ;  [4] ;  [1] ;  [2]
  1. Univ. of Nevada, Las Vegas, NV (United States)
  2. Temple Univ., Philadelphia, PA (United States)
  3. Temple Univ., Philadelphia, PA (United States); St. Petersburg State Univ. (Russia)
  4. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Report Number(s):
LA-UR-17-20822
Journal ID: ISSN 2041-1723
Grant/Contract Number:
AC52-06NA25396
Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 8; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Research Org:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Inorganic and Physical Chemistry; Ultracold chemistry, ultracold molecules, quantum reactive scattering
OSTI Identifier:
1414101

Croft, J. F. E., Makrides, C., Li, M., Petrov, A., Kendrick, B. K., Balakrishnan, N., and Kotochigova, S.. Universality and chaoticity in ultracold K+KRb chemical reactions. United States: N. p., Web. doi:10.1038/ncomms15897.
Croft, J. F. E., Makrides, C., Li, M., Petrov, A., Kendrick, B. K., Balakrishnan, N., & Kotochigova, S.. Universality and chaoticity in ultracold K+KRb chemical reactions. United States. doi:10.1038/ncomms15897.
Croft, J. F. E., Makrides, C., Li, M., Petrov, A., Kendrick, B. K., Balakrishnan, N., and Kotochigova, S.. 2017. "Universality and chaoticity in ultracold K+KRb chemical reactions". United States. doi:10.1038/ncomms15897. https://www.osti.gov/servlets/purl/1414101.
@article{osti_1414101,
title = {Universality and chaoticity in ultracold K+KRb chemical reactions},
author = {Croft, J. F. E. and Makrides, C. and Li, M. and Petrov, A. and Kendrick, B. K. and Balakrishnan, N. and Kotochigova, S.},
abstractNote = {A fundamental question in the study of chemical reactions is how reactions proceed at a collision energy close to absolute zero. This question is no longer hypothetical: quantum degenerate gases of atoms and molecules can now be created at temperatures lower than a few tens of nanokelvin. Here we consider the benchmark ultracold reaction between, the most-celebrated ultracold molecule, KRb and K. We map out an accurate ab initio ground-state potential energy surface of the K2Rb complex in full dimensionality and report numerically-exact quantum-mechanical reaction dynamics. The distribution of rotationally resolved rates is shown to be Poissonian. An analysis of the hyperspherical adiabatic potential curves explains this statistical character revealing a chaotic distribution for the short-range collision complex that plays a key role in governing the reaction outcome.},
doi = {10.1038/ncomms15897},
journal = {Nature Communications},
number = ,
volume = 8,
place = {United States},
year = {2017},
month = {7}
}