Progress report: Calculations on BeH +. Ã…sa 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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Åsa Larson, Stockholm University
Johanna Roos, Stockholm University
Ann Orel, UC Davis
Mats Larsson, Stockholm University
Be + H
BeH+ + e
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
Combine resonant potentials obtained with the electron scattering calculation with the electronically bound states obtained with structure calculation.
The resonant state potential
PRA 71, 052714 (2005)
The driving term or ”entry amplitude”
Partial cross section
Total cross sectionMolecular Dynamics with a time-independent nonlocal model
Partial cross section for Δ states
Partial cross section for Π states
Partial cross section for Σ states
Total cross section