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Title: Collisional Quenching of Highly Excited H2 due to H2 Collisions

Abstract

Rate coefficients for pure rotational quenching in H2(ν 1 = 0, j 1) + H2(ν 2 = 0, j 2) collisions from initial levels of j 1 = 2–31 (j 2 = 0 or 1) to all lower rotational levels are presented. Here, we carried out extensive quantum mechanical close-coupling calculations based on a recently published H2–H2 potential energy surface (PES) developed by Patkowski et al. that has been demonstrated to be more reliable than previous work. Rotational transition cross sections with initial levels of j 1 = 2–14, 18, 19, 24, and 25 were computed for energies ranging from 10-6 to 1000 cm-1, while the coupled-states approximation was adopted from 2000 to 20,000 cm-1. The corresponding rate coefficients were calculated for the temperature range 10-5 ≤ T ≤ 10,000 K. Scaling methods based on the ultra-cold data (10-5–1 K) were used to estimate rate coefficients for all other intermediate rotational states. Comparisons with previous work that adopted different PESs show small discrepancies at high temperatures and in low-energy resonance regions. The astrophysical applications of the current results are briefly discussed, including the rotational H2 critical densities due to para-H2 and ortho-H2 collisions.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [2];  [3]; ORCiD logo [4]
+ Show Author Affiliations
  1. Univ. of Georgia, Athens, GA (United States)
  2. Univ. of Nevada, Las Vegas, NV (United States)
  3. Univ. of Nevada, Las Vegas, NV (United States); The Pennsylvania State Univ. College of Medicine, Hershey, PA (United States)
  4. Penn State Univ., Reading, PA (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1565709
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
The Astrophysical Journal (Online)
Additional Journal Information:
Journal Name: The Astrophysical Journal (Online); Journal Volume: 862; Journal Issue: 2; Journal ID: ISSN 1538-4357
Publisher:
Institute of Physics (IOP)
Country of Publication:
United States
Language:
English
Subject:
79 ASTRONOMY AND ASTROPHYSICS; astronomy & astrophysics; molecular data; molecular processes; scattering

Citation Formats

Wan, Yier, Yang, B. H., Stancil, P. C., Balakrishnan, N., Parekh, Nikhil J., and Forrey, R. C. Collisional Quenching of Highly Excited H2 due to H2 Collisions. United States: N. p., 2018. Web. doi:10.3847/1538-4357/aaccf8.
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Wan, Yier, Yang, B. H., Stancil, P. C., Balakrishnan, N., Parekh, Nikhil J., & Forrey, R. C. Collisional Quenching of Highly Excited H2 due to H2 Collisions. United States. doi:https://doi.org/10.3847/1538-4357/aaccf8
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Wan, Yier, Yang, B. H., Stancil, P. C., Balakrishnan, N., Parekh, Nikhil J., and Forrey, R. C. Tue . "Collisional Quenching of Highly Excited H2 due to H2 Collisions". United States. doi:https://doi.org/10.3847/1538-4357/aaccf8. https://www.osti.gov/servlets/purl/1565709.
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@article{osti_1565709,
title = {Collisional Quenching of Highly Excited H2 due to H2 Collisions},
author = {Wan, Yier and Yang, B. H. and Stancil, P. C. and Balakrishnan, N. and Parekh, Nikhil J. and Forrey, R. C.},
abstractNote = {Rate coefficients for pure rotational quenching in H2(ν 1 = 0, j 1) + H2(ν 2 = 0, j 2) collisions from initial levels of j 1 = 2–31 (j 2 = 0 or 1) to all lower rotational levels are presented. Here, we carried out extensive quantum mechanical close-coupling calculations based on a recently published H2–H2 potential energy surface (PES) developed by Patkowski et al. that has been demonstrated to be more reliable than previous work. Rotational transition cross sections with initial levels of j 1 = 2–14, 18, 19, 24, and 25 were computed for energies ranging from 10-6 to 1000 cm-1, while the coupled-states approximation was adopted from 2000 to 20,000 cm-1. The corresponding rate coefficients were calculated for the temperature range 10-5 ≤ T ≤ 10,000 K. Scaling methods based on the ultra-cold data (10-5–1 K) were used to estimate rate coefficients for all other intermediate rotational states. Comparisons with previous work that adopted different PESs show small discrepancies at high temperatures and in low-energy resonance regions. The astrophysical applications of the current results are briefly discussed, including the rotational H2 critical densities due to para-H2 and ortho-H2 collisions.},
doi = {10.3847/1538-4357/aaccf8},
journal = {The Astrophysical Journal (Online)},
number = 2,
volume = 862,
place = {United States},
year = {2018},
month = {7}
}
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DOI:  https://doi.org/10.3847/1538-4357/aaccf8
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Works referenced in this record:

A stable linear reference potential algorithm for solution of the quantum close‐coupled equations in molecular scattering theory
journal, February 1987

  • Alexander, Millard H.; Manolopoulos, David E.
  • The Journal of Chemical Physics, Vol. 86, Issue 4
  • DOI: 10.1063/1.452154

Quantum calculations of H2–H2 collisions: From ultracold to thermal energies
journal, March 2009

  • Quéméner, Goulven; Balakrishnan, Naduvalath
  • The Journal of Chemical Physics, Vol. 130, Issue 11
  • DOI: 10.1063/1.3081225

Quantum mechanical close coupling approach to molecular collisions. j z ‐conserving coupled states approximation
journal, March 1974

  • McGuire, Paul; Kouri, Donald J.
  • The Journal of Chemical Physics, Vol. 60, Issue 6
  • DOI: 10.1063/1.1681388

Rovibrational relaxation in collisions between H 2 molecules: II. Influence of the rotational state of the perturber
journal, July 1999

  • Flower, D. R.; Roueff, E.
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 32, Issue 14
  • DOI: 10.1088/0953-4075/32/14/310

Calculations of rate constants for the three‐body recombination of H 2 in the presence of H 2
journal, August 1988

  • Schwenke, David W.
  • The Journal of Chemical Physics, Vol. 89, Issue 4
  • DOI: 10.1063/1.455104

Simple error bound for coupled-channel scattering calculations
journal, November 1971

Rovibrational energy transfer in ortho-H2+para-H2 collisions
journal, September 2007

  • Panda, Aditya N.; Otto, Frank; Gatti, Fabien
  • The Journal of Chemical Physics, Vol. 127, Issue 11
  • DOI: 10.1063/1.2776266

A full-dimensional quantum dynamical study of vibrational relaxation in H2+H2
journal, September 2002

The Far‐Ultraviolet Spectrum of TW Hydrae. I. Observations of H 2 Fluorescence
journal, June 2002

  • Herczeg, Gregory J.; Linsky, Jeffrey L.; Valenti, Jeff A.
  • The Astrophysical Journal, Vol. 572, Issue 1
  • DOI: 10.1086/339731

The rotational excitation of H2 by H2
journal, June 1998

The Origins of Fluorescent H 2 Emission From T Tauri Stars
journal, July 2006

  • Herczeg, Gregory J.; Linsky, Jeffrey L.; Walter, Frederick M.
  • The Astrophysical Journal Supplement Series, Vol. 165, Issue 1
  • DOI: 10.1086/503558

Hydrogen Molecules in Astronomy
journal, September 1966

A six-dimensional H2–H2 potential energy surface for bound state spectroscopy
journal, April 2008

  • Hinde, Robert J.
  • The Journal of Chemical Physics, Vol. 128, Issue 15
  • DOI: 10.1063/1.2826340

Rotational Quenching Rate Coefficients for H 2 in Collisions with H 2 from 2 to 10,000 K
journal, December 2008

  • Lee, T. ‐G.; Balakrishnan, N.; Forrey, R. C.
  • The Astrophysical Journal, Vol. 689, Issue 2
  • DOI: 10.1086/592560

Rovibrational relaxation in collisions between molecules: I. Transitions induced by ground state para-
journal, July 1998

  • Flower, D. R.; Roueff, E.
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 31, Issue 13
  • DOI: 10.1088/0953-4075/31/13/012

An accurate H2–H2 interaction potential from first principles
journal, March 2000

  • Diep, Phong; Johnson, J. Karl
  • The Journal of Chemical Physics, Vol. 112, Issue 10
  • DOI: 10.1063/1.481009

Molecular Hydrogen in Star‐forming Regions: Implementation of its Microphysics in CLOUDY
journal, May 2005

  • Shaw, G.; Ferland, G. J.; Abel, N. P.
  • The Astrophysical Journal, Vol. 624, Issue 2
  • DOI: 10.1086/429215

Rate of Collisional Excitation in Stellar Atmospheres.
journal, September 1962

  • van Regemorter, Henri
  • The Astrophysical Journal, Vol. 136
  • DOI: 10.1086/147445

State-to-state rotational transitions in H2+H2 collisions at low temperatures
journal, September 2006

  • Lee, Teck-Ghee; Balakrishnan, N.; Forrey, R. C.
  • The Journal of Chemical Physics, Vol. 125, Issue 11
  • DOI: 10.1063/1.2338319

Inelastic collisions in para -H2: Translation-rotation state-to-state rate coefficients and cross sections at low temperature and energy
journal, February 2005

  • Maté, B.; Thibault, F.; Tejeda, G.
  • The Journal of Chemical Physics, Vol. 122, Issue 6
  • DOI: 10.1063/1.1850464

Quantum Calculation of Inelastic co Collisions with h. ii. pure Rotational Quenching of high Rotational Levels
journal, September 2015

Rotational excitation in H 2 –H 2 collisions: Close‐coupling calculations
journal, March 1975

  • Green, Sheldon
  • The Journal of Chemical Physics, Vol. 62, Issue 6
  • DOI: 10.1063/1.430752

The coupled states approximation for scattering of two diatoms
journal, January 1978

  • Heil, Timothy G.; Green, Sheldon; Kouri, Donald J.
  • The Journal of Chemical Physics, Vol. 68, Issue 6
  • DOI: 10.1063/1.436115

Excitation of Molecular Hydrogen in the Orion Bar PhotodissociationRegion from a Deep Near-infrared IGRINS Spectrum
journal, April 2017

  • Kaplan, Kyle F.; Dinerstein, Harriet L.; Oh, Heeyoung
  • The Astrophysical Journal, Vol. 838, Issue 2
  • DOI: 10.3847/1538-4357/aa5b9f

Potential energy surface for interactions between two hydrogen molecules
journal, January 2008

  • Patkowski, Konrad; Cencek, Wojciech; Jankowski, Piotr
  • The Journal of Chemical Physics, Vol. 129, Issue 9
  • DOI: 10.1063/1.2975220

An accurate analytic H4 potential energy surface
journal, January 2002

  • Boothroyd, A. I.; Martin, P. G.; Keogh, W. J.
  • The Journal of Chemical Physics, Vol. 116, Issue 2
  • DOI: 10.1063/1.1405008

Quantum dynamics of rovibrational transitions in H 2 -H 2 collisions: Internal energy and rotational angular momentum conservation effects
journal, June 2011

  • Santos, S. Fonseca dos; Balakrishnan, N.; Lepp, S.
  • The Journal of Chemical Physics, Vol. 134, Issue 21
  • DOI: 10.1063/1.3595134

Quantal coupled channels calculations of the rates of self-relaxation of ortho - and para -H 2
journal, November 2000

Effective potential formulation of molecule‐molecule collisions with application to H 2 –H 2
journal, March 1974

  • Zarur, George; Rabitz, Herschel
  • The Journal of Chemical Physics, Vol. 60, Issue 5
  • DOI: 10.1063/1.1681316

ROTATIONAL QUENCHING OF CO DUE TO H 2 COLLISIONS
journal, July 2010

Rotational excitations in para-H2+para-H2 collisions: Full- and reduced-dimensional quantum wave packet studies comparing different potential energy surfaces
journal, February 2008

  • Otto, Frank; Gatti, Fabien; Meyer, Hans-Dieter
  • The Journal of Chemical Physics, Vol. 128, Issue 6
  • DOI: 10.1063/1.2826379

Rotationally inelastic collisions between H2 molecules in interstellar magnetohydrodynamical shocks
journal, June 1987

  • Danby, G.; Flower, D. R.; Monteiro, T. S.
  • Monthly Notices of the Royal Astronomical Society, Vol. 226, Issue 3
  • DOI: 10.1093/mnras/226.3.739

An atomic and molecular database for analysis of submillimetre line observations
journal, February 2005

  • Schöier, F. L.; van der Tak, F. F. S.; van Dishoeck, E. F.
  • Astronomy & Astrophysics, Vol. 432, Issue 1
  • DOI: 10.1051/0004-6361:20041729

Full-dimensional quantum dynamics calculations of H 2 –H 2 collisions
journal, January 2011

  • Balakrishnan, N.; Quéméner, G.; Forrey, R. C.
  • The Journal of Chemical Physics, Vol. 134, Issue 1
  • DOI: 10.1063/1.3511699
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    Works referencing / citing this record:

    Rotational quenching of HD induced by collisions with H2 molecules
    journal, June 2019

    • Wan, Yier; Balakrishnan, N.; Yang, B. H.
    • Monthly Notices of the Royal Astronomical Society, Vol. 488, Issue 1
    • DOI: 10.1093/mnras/stz1735

    Rotational quenching of HD induced by collisions with H2 molecules
    journal, June 2019

    • Wan, Yier; Balakrishnan, N.; Yang, B. H.
    • Monthly Notices of the Royal Astronomical Society, Vol. 488, Issue 1
    • DOI: 10.1093/mnras/stz1735

    Matrix formulation of the energy exchange problem of multi-level systems and the code FRIGUS
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    • Rendiconti Lincei. Scienze Fisiche e Naturali, Vol. 30, Issue 4
    • DOI: 10.1007/s12210-019-00849-x

    Platinum, gold, and silver standards of intermolecular interaction energy calculations
    journal, August 2019

    • Kodrycka, Monika; Patkowski, Konrad
    • The Journal of Chemical Physics, Vol. 151, Issue 7
    • DOI: 10.1063/1.5116151

    Rotational Quenching of HD in Collisions with H 2 : Resolving Discrepancies for Low-lying Rotational Transitions
    journal, October 2018

    • Balakrishnan, N.; Croft, J. F. E.; Yang, B. H.
    • The Astrophysical Journal, Vol. 866, Issue 2
    • DOI: 10.3847/1538-4357/aadda3
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