Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments

doi:10.3390/atoms7030075

Title: Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments

Abstract

We present convergent close-coupling (CCC) calculations of electron-impact dissociation of vibrationally-excited molecular hydrogen into neutral fragments. This work follows from our previous results for dissociation of molecular hydrogen in the ground vibrational level [Scarlett et al., Eur. Phys. J. D 72, 34 (2018)], which were obtained from calculations performed in a spherical coordinate system. The present calculations, performed utilizing a spheroidal formulation of the molecular CCC method, reproduce the previous dissociation cross sections for the ground vibrational level, while allowing the extension to scattering on excited levels.

Authors:

^[1]; Savage, Jeremy S. ^[1];

^[1];

^[2];

^[1]

Curtin Univ., Perth, WA (Australia)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Publication Date:: 2019-08-06

Research Org.:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1557173

Report Number(s):: LA-UR-19-27867
Journal ID: ISSN 2218-2004; ATOMC5

Grant/Contract Number:: 89233218CNA000001

Resource Type:: Accepted Manuscript

Journal Name:: Atoms

Additional Journal Information:: Journal Volume: 7; Journal Issue: 3; Journal ID: ISSN 2218-2004

Publisher:: MDPI

Country of Publication:: United States

Language:: English

Subject:: 74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats


                    Scarlett, Liam H., Savage, Jeremy S., Fursa, Dmitry V., Zammit, Mark C., and Bray, Igor. Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments.  United States: N. p., 2019. 
        Web.  doi:10.3390/atoms7030075.

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                    Scarlett, Liam H., Savage, Jeremy S., Fursa, Dmitry V., Zammit, Mark C., & Bray, Igor. Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments.  United States.  doi:10.3390/atoms7030075.

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                    Scarlett, Liam H., Savage, Jeremy S., Fursa, Dmitry V., Zammit, Mark C., and Bray, Igor. Tue .  
        "Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments".  United States.  doi:10.3390/atoms7030075.  https://www.osti.gov/servlets/purl/1557173.

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@article{osti_1557173,

  title        = {Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments},

  author       = {Scarlett, Liam H. and Savage, Jeremy S. and Fursa, Dmitry V. and Zammit, Mark C. and Bray, Igor},

  abstractNote = {We present convergent close-coupling (CCC) calculations of electron-impact dissociation of vibrationally-excited molecular hydrogen into neutral fragments. This work follows from our previous results for dissociation of molecular hydrogen in the ground vibrational level [Scarlett et al., Eur. Phys. J. D 72, 34 (2018)], which were obtained from calculations performed in a spherical coordinate system. The present calculations, performed utilizing a spheroidal formulation of the molecular CCC method, reproduce the previous dissociation cross sections for the ground vibrational level, while allowing the extension to scattering on excited levels.},

  doi          = {10.3390/atoms7030075},

  journal      = {Atoms},

  number       = 3,

  volume       = 7,

  place        = {United States},

  year         = {2019},

  month        = {8}

}

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Works referenced in this record:

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Liu, Xianming; Ahmed, Syed M.; Multari, Rosalie A.
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Electron-impact dissociation of molecular hydrogen into neutral fragments
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Scarlett, Liam H.; Tapley, Jonathan K.; Fursa, Dmitry V.
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Electron-impact excitation of molecular hydrogen
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Zammit, Mark C.; Savage, Jeremy S.; Fursa, Dmitry V.
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Non-Franck-Condon electron-impact dissociative-excitation cross sections of molecular hydrogen producing $H (1 s) + H (2 l)$ through $X^{1} Σ_{g}^{+} (v = 0) \to {B^{1} Σ_{u}^{+}$ , $B^{'}^{1} Σ_{u}^{+},$ $C^{1} Π_{u}}$
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Borges, Itamar; Jalbert, Ginette; Bielschowsky, Carlos Eduardo
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journal, January 1999

Stibbe, Darian T.; Tennyson, Jonathan
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Electron and photon dissociation cross sections of the D ₂ singlet ungerade continua
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journal, March 1999

Stibbe, Darian T.; Tennyson, Jonathan
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Electron-impact dissociative excitation cross sections for singlet states of molecular hydrogen
journal, September 2018

Tapley, Jonathan K.; Scarlett, Liam H.; Savage, Jeremy S.
Physical Review A, Vol. 98, Issue 3
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Vibrational excitation of the ${{\rm{H}}}_{2}X{}^{1}{{\rm{\Sigma }}}_{g}^{+}$ state via electron-impact excitation and radiative cascade
journal, February 2019

Scarlett, Liam H.; Tapley, Jonathan K.; Savage, Jeremy S.
Plasma Sources Science and Technology, Vol. 28, Issue 2
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Vibrationally resolved electron-impact excitation cross sections for singlet states of molecular hydrogen
journal, June 2018

Tapley, Jonathan K.; Scarlett, Liam H.; Savage, Jeremy S.
Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 51, Issue 14
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Electron– and positron–molecule scattering: development of the molecular convergent close-coupling method
journal, May 2017

Zammit, Mark C.; Fursa, Dmitry V.; Savage, Jeremy S.
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Similar Records

Title: Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments

Abstract

Citation Formats

High-Resolution Electron-Impact Study of the Far-Ultraviolet Emission Spectrum of Molecular Hydrogen journal, November 1995

Effective ionization and dissociation rate coefficients of molecular hydrogen in plasma journal, September 1995

High‐Resolution Electron‐Impact Emission Spectrum of H 2 . I. Cross Sections and Emission Yields 900–1200 A journal, July 2000

Cross Sections for Electron Collisions with Hydrogen Molecules journal, June 2008

Dissociation of Molecular Hydrogen by Electron Impact journal, December 1965

Electron-impact dissociation of molecular hydrogen into neutral fragments journal, February 2018

Electron-impact excitation of molecular hydrogen journal, February 2017

Application of the close-coupling method to excitation of electronic states and dissociation of H 2 by electron impact journal, June 1978

Non-Franck-Condon electron-impact dissociative-excitation cross sections of molecular hydrogen producing H ( 1 s ) + H ( 2 l ) through X 1 Σ g + ( v = 0 ) → { B 1 Σ u + , B ′ 1 Σ u + , C 1 Π u } journal, February 1998

Near-threshold electron impact dissociation of H 2 within the adiabatic nuclei approximation journal, January 1999

Electron and photon dissociation cross sections of the D 2 singlet ungerade continua journal, May 2012

Rates for the Electron Impact Dissociation of Molecular Hydrogen journal, March 1999

Electron-impact dissociative excitation cross sections for singlet states of molecular hydrogen journal, September 2018

Vibrational excitation of the ${{\rm{H}}}_{2}X{}^{1}{{\rm{\Sigma }}}_{g}^{+}$ state via electron-impact excitation and radiative cascade journal, February 2019

Vibrationally resolved electron-impact excitation cross sections for singlet states of molecular hydrogen journal, June 2018

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Calculated rates for the electron impact dissociation of molecular hydrogen, deuterium and tritium journal, June 2002

High-Resolution Electron-Impact Study of the Far-Ultraviolet Emission Spectrum of Molecular Hydrogen
journal, November 1995

Effective ionization and dissociation rate coefficients of molecular hydrogen in plasma
journal, September 1995

High‐Resolution Electron‐Impact Emission Spectrum of H ₂ . I. Cross Sections and Emission Yields 900–1200 A
journal, July 2000

Cross Sections for Electron Collisions with Hydrogen Molecules
journal, June 2008

Dissociation of Molecular Hydrogen by Electron Impact
journal, December 1965

Electron-impact dissociation of molecular hydrogen into neutral fragments
journal, February 2018

Electron-impact excitation of molecular hydrogen
journal, February 2017

Application of the close-coupling method to excitation of electronic states and dissociation of $H_{2}$ by electron impact
journal, June 1978

Non-Franck-Condon electron-impact dissociative-excitation cross sections of molecular hydrogen producing $H (1 s) + H (2 l)$ through $X^{1} Σ_{g}^{+} (v = 0) \to {B^{1} Σ_{u}^{+}$ , $B^{'}^{1} Σ_{u}^{+},$ $C^{1} Π_{u}}$
journal, February 1998

Near-threshold electron impact dissociation of H ₂ within the adiabatic nuclei approximation
journal, January 1999

Electron and photon dissociation cross sections of the D ₂ singlet ungerade continua
journal, May 2012

Rates for the Electron Impact Dissociation of Molecular Hydrogen
journal, March 1999

Electron-impact dissociative excitation cross sections for singlet states of molecular hydrogen
journal, September 2018

Vibrational excitation of the ${{\rm{H}}}_{2}X{}^{1}{{\rm{\Sigma }}}_{g}^{+}$ state via electron-impact excitation and radiative cascade
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Vibrationally resolved electron-impact excitation cross sections for singlet states of molecular hydrogen
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Electron– and positron–molecule scattering: development of the molecular convergent close-coupling method
journal, May 2017

The theory of electron-molecule collisions
journal, January 1980

ANALYSIS OF ELECTRON-IMPACT EXCITATION AND EMISSION OF THE np σ ¹ Σ ⁺ _u AND np π ¹ Π _u RYDBERG SERIES OF H ₂
journal, December 2008

Differential cross sections for near-threshold electron impact dissociation of molecular hydrogen
journal, July 2001

Calculated rates for the electron impact dissociation of molecular hydrogen, deuterium and tritium
journal, June 2002