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Progress report: Calculations on BeH +. Åsa Larson, Stockholm University Johanna Roos, Stockholm University Ann Orel, UC Davis Mats Larsson, Stockholm University. Motivation. Beryllium used for the first wall and limiter BeH + formed in the plasma

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Progress report: Calculations on BeH +


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progress report calculations on beh

Progress report:Calculations on BeH+

Åsa Larson, Stockholm University

Johanna Roos, Stockholm University

Ann Orel, UC Davis

Mats Larsson, Stockholm University

motivation
Motivation
  • Beryllium used for the first wall and limiter
  • BeH+ formed in the plasma
  • How fast does it recombine with electrons?
  • Problem: toxicity of Be; experiments not the preferred choice
what has been done
What has been done
  • Theoretical work on BexHy was reported by Stefan Matejcik at the CRP-meeting in June 2007
  • High resolution spectroscopy work on BeH published in 2006 (Le Roy et al. J.Mol.Spec.)
  • High resolution work on BeH+ published by Coxon & Colin, J. Mol. Spec. 1997
  • Theoretical calculations by several groups
slide16

Electron scattering calculations

Using the Complex Kohn variational method, the resonant states of BeH are calculated.

Trial wave function:

Insert into a variational functional for the T-matrix ci, dμ, T

Eigenphase sum of the T-matrix: Eres(R), Γres(R)

Target wave function MRCI

Correlation and polarization

slide18

Combine resonant potentials obtained with the electron scattering calculation with the electronically bound states obtained with structure calculation.

Quasidiabatization

2Σ+ symmetry:

molecular dynamics with a time independent nonlocal model
The driven time-independent SE

The resonant state potential

PRA 71, 052714 (2005)

The driving term or ”entry amplitude”

Partial cross section

Total cross section

Molecular Dynamics with a time-independent nonlocal model
cross sections
Cross sections

Partial cross section for Δ states

Partial cross section for Π states

Partial cross section for Σ states

Total cross section

concluding remarks
Concluding remarks
  • The calculations will be finalized with nonadiabatic couplings included
  • CRYRING will be used for a few experiments during 2009, and then in 2010 moved to Darmstadt (FAIR)
  • A new double electrostatic storge ring, Desiree, will be commissioned in Stockholm during 2009