Abstract
The present study deals with quantitative prediction of compound-state resonance energies and widths in the elastic scattering of a diatomic molecule at energies below the threshold for rotational excitation. Previous work had been restricted to the weak interchannel coupling limit or to s-wave scattering only (but with no restriction on coupling strength). The two-state adiabatic decoupling approximation, adequate to describe the s-wave resonance phenomenon, requires modification to be practical for higher partial waves. This extension is carried out and calculations yield good agreement with exact (close-coupled) results. It is then used in the numerical solution of the complete subthreshold resonance problem for an example involving moderately strong coupling, for which other approximate methods are inadequate. This decoupling approximation, which yields accurate energies and semiquantitative lifetimes of the compound states, leads also to a spectroscopic correlation scheme, i.e., an indexing of the spectrum of resonances.
| Original language | English |
|---|---|
| Pages (from-to) | 606-616 |
| Number of pages | 11 |
| Journal | Journal of Chemical Physics |
| Volume | 52 |
| Issue number | 2 |
| Publication status | Published - 1970 |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
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Complete partial-wave treatment of compound-state (rotational excitation) resonances in subthreshold scattering of an atom by a diatomic molecule. / Muckerman, James; Bernstein, R. B.
In: Journal of Chemical Physics, Vol. 52, No. 2, 1970, p. 606-616.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Complete partial-wave treatment of compound-state (rotational excitation) resonances in subthreshold scattering of an atom by a diatomic molecule
AU - Muckerman, James
AU - Bernstein, R. B.
PY - 1970
Y1 - 1970
N2 - The present study deals with quantitative prediction of compound-state resonance energies and widths in the elastic scattering of a diatomic molecule at energies below the threshold for rotational excitation. Previous work had been restricted to the weak interchannel coupling limit or to s-wave scattering only (but with no restriction on coupling strength). The two-state adiabatic decoupling approximation, adequate to describe the s-wave resonance phenomenon, requires modification to be practical for higher partial waves. This extension is carried out and calculations yield good agreement with exact (close-coupled) results. It is then used in the numerical solution of the complete subthreshold resonance problem for an example involving moderately strong coupling, for which other approximate methods are inadequate. This decoupling approximation, which yields accurate energies and semiquantitative lifetimes of the compound states, leads also to a spectroscopic correlation scheme, i.e., an indexing of the spectrum of resonances.
AB - The present study deals with quantitative prediction of compound-state resonance energies and widths in the elastic scattering of a diatomic molecule at energies below the threshold for rotational excitation. Previous work had been restricted to the weak interchannel coupling limit or to s-wave scattering only (but with no restriction on coupling strength). The two-state adiabatic decoupling approximation, adequate to describe the s-wave resonance phenomenon, requires modification to be practical for higher partial waves. This extension is carried out and calculations yield good agreement with exact (close-coupled) results. It is then used in the numerical solution of the complete subthreshold resonance problem for an example involving moderately strong coupling, for which other approximate methods are inadequate. This decoupling approximation, which yields accurate energies and semiquantitative lifetimes of the compound states, leads also to a spectroscopic correlation scheme, i.e., an indexing of the spectrum of resonances.
UR - http://www.scopus.com/inward/record.url?scp=36849103312&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=36849103312&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:36849103312
VL - 52
SP - 606
EP - 616
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 2
ER -