Internal excitation in nonreactive molecular collisions

Resonance widths in the scattering of an atom by a rigid rotor

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6 Citations (Scopus)

Abstract

Approximate methods are employed in an attempt to reproduce the exact dependence of the widths of subexcitation resonances upon energy and the asymmetry (coupling) parameter in the scattering of an atom by a rigid rotor. Two approximation procedures are investigated. One is based on the "distortion" approximation to the resonance energies. It is shown that, except for cases of extremely weak coupling, this approximation is quite unsatisfactory. The other procedure, an extension of the "adiabatic" approximation to the resonance energies, is computationally as simple as the first method in that it does not require the numerical differentiation of the adiabatic wavefunctions. Agreement with the exact widths is quite good, suggesting that the approximation should be of considerable value in predicting whether or not a given resonance might be observable.

Original languageEnglish
Pages (from-to)1029-1031
Number of pages3
JournalJournal of Chemical Physics
Volume50
Issue number2
Publication statusPublished - 1969

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Rigid rotors
molecular collisions
rigid rotors
Scattering
Atoms
approximation
scattering
excitation
atoms
numerical differentiation
Wave functions
energy
asymmetry

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

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AB - Approximate methods are employed in an attempt to reproduce the exact dependence of the widths of subexcitation resonances upon energy and the asymmetry (coupling) parameter in the scattering of an atom by a rigid rotor. Two approximation procedures are investigated. One is based on the "distortion" approximation to the resonance energies. It is shown that, except for cases of extremely weak coupling, this approximation is quite unsatisfactory. The other procedure, an extension of the "adiabatic" approximation to the resonance energies, is computationally as simple as the first method in that it does not require the numerical differentiation of the adiabatic wavefunctions. Agreement with the exact widths is quite good, suggesting that the approximation should be of considerable value in predicting whether or not a given resonance might be observable.

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