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Stochastic variational calculation of zero-energy positron scattering from H, He, and H2

Zhang, Jun-Yi and Mitroy, Jim (2011). Stochastic variational calculation of zero-energy positron scattering from H, He, and H2. Physical Review A (Atomic Molecular and Optical Physics),83(2):1-14.

Document type: Journal Article

IRMA ID 82794376xPUB1
Title Stochastic variational calculation of zero-energy positron scattering from H, He, and H2
Author Zhang, Jun-Yi
Mitroy, Jim
Journal Name Physical Review A (Atomic Molecular and Optical Physics)
Publication Date 2011
Volume Number 83
Issue Number 2
ISSN 1050-2947   (check CDU catalogue  open catalogue search in new window)
Scopus ID 2-s2.0-79951804767
Start Page 1
End Page 14
Total Pages 13
Place of Publication College Park, United States
Publisher American Physical Society
HERDC Category C1 - Journal Article (DIISR)
Abstract The confined variational method is used to generate a set of energy-optimized explicitly correlated Gaussians to describe positrons interacting with H, He and the H2 molecule. These basis functions are then used in a Kohn variational calculation of the scattering lengths and zero-energy annihilation parameters, Zeff. The results for the H and He atoms are consistent with previous high-quality variational calculations while the annihilation parameter for H2 is consistent with experiment. An extensive tabulation of the H2 scattering parameters as a function of internuclear distance confirm the existence of a virtual state at R≈3.4a0. The scattering length was -2.71a0 and Zeff was 15.7 at the mean H2 internuclear distance of 1.45a0.

DOI http://dx.doi.org/10.1103/PhysRevA.83.022711   (check subscription with CDU E-Gateway service for CDU Staff and Students  check subscription with CDU E-Gateway in new window)
 
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Created: Fri, 17 Jan 2014, 00:52:47 CST