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Related Experiment Videos

Broad shape resonance effects in CaF Rydberg states.

Serhan N Altunata1, Stephen L Coy, Robert W Field

  • 1Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.

The Journal of Chemical Physics
|May 30, 2006
PubMed
Summary

A broad shape resonance in electron-CaF(+) scattering affects Rydberg series, violating Mulliken's rule. This phenomenon, termed "scarring," impacts molecular Rydberg spectra near the ionization threshold.

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Area of Science:

  • Physical Chemistry
  • Atomic and Molecular Physics
  • Quantum Scattering Theory

Background:

  • Ab initio R-matrix calculations reveal a shape resonance in electron-CaF(+) scattering.
  • This resonance occurs in the (2)Sigma(+) electronic symmetry near the ionization threshold.
  • Previous studies established Mulliken's rule for Rydberg state wave functions and quantum defects.

Purpose of the Study:

  • To analyze the properties of the observed shape resonance in electron-CaF(+) scattering.
  • To explain the resonance's qualitative aspects using an adiabatic approximation.
  • To investigate the impact of the resonance on the CaF Rydberg series and its deviation from Mulliken's rule.

Main Methods:

  • Performed ab initio R-matrix calculations for electron-CaF(+) scattering.

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  • Utilized the adiabatic partial-wave expansion of the scattered electron wave function.
  • Applied an adiabatic approximation to model the electronic motion.

    • Main Results:

    • Identified a broad shape resonance in electron-CaF(+) scattering with (2)Sigma(+) symmetry near the ionization threshold.
    • The resonance's properties were analyzed using the adiabatic partial-wave expansion.
    • A significant violation of Mulliken's rule was observed in the CaF Rydberg series below the ionization threshold, indicating spectral 'scarring'.

    Conclusions:

    • The broad shape resonance significantly influences the CaF Rydberg series, causing deviations from expected behavior.
    • The observed violation of Mulliken's rule is attributed to a global 'scarring' of the Rydberg spectrum.
    • This 'scarring' is distinct from local perturbations and provides new insights into molecular Rydberg state dynamics.