Coupledâ€�channel study of rotational excitation of an electronically excited diatomic molecule by atom impact: He(1S)+H2 (B 1Σ+u)

Randall M. Grimes, William A. Lester, Michel Dupuis

Research output: Contribution to journalArticle

Abstract

Rotational energy transfer cross sections have been computed in the rigid rotor model, for the energy range 0.015–0.150 eV, using an analytic fit to ab initio interaction energies determined by others and the authors with large basis set CI approaches. Long�range interactions are described by a multipole expansion. The potential energy surface is highly anisotropic and leads to integral inelastic cross sections, typically larger than those involving ground state systems, in fair agreement with results obtained using a previously determined fit.

Original languageEnglish
Pages (from-to)5437-5443
Number of pages7
JournalJournal of Chemical Physics
Volume84
Issue number10
DOIs
Publication statusPublished - May 15 1986

Fingerprint

Rigid rotors
Potential energy surfaces
diatomic molecules
Energy transfer
Ground state
Atoms
rigid rotors
Molecules
cross sections
multipoles
excitation
atoms
potential energy
energy transfer
interactions
expansion
ground state
energy

Keywords

  • ATOM−MOLECULE COLLISIONS
  • COUPLED CHANNEL THEORY
  • CROSS SECTIONS
  • ENERGY TRANSFER
  • EXCITATION
  • HELIUM
  • HYDROGEN
  • ROTATIONAL STATES

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Coupledâ€�channel study of rotational excitation of an electronically excited diatomic molecule by atom impact : He(1S)+H2 (B 1Σ+u). / Grimes, Randall M.; Lester, William A.; Dupuis, Michel.

In: Journal of Chemical Physics, Vol. 84, No. 10, 15.05.1986, p. 5437-5443.

Research output: Contribution to journalArticle

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