Abstract
The wave function ψ− of a positron in Cu is calculated using the MAPW (modified augmented plane wave) method. This method, taking into account the correct symmetry of ψ− inside the atomic polyhedron and yielding the appropriate behaviour near the nucleus, leads to rapidly converging results. The Hartree potential seen by the positron is constructed from the electronic wave functions determined by the MAPW method. It is found that the lowest eigenstate of the positron is a Γ1 state. In a provisional calculation, the matrix elements describing the two-quantum angular distribution of positron annihilation radiation are computed using recent MAPW electron wave functions. Good agreement with the measured anisotropic positron annihilation is found.
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Bross, H., Stöhr, H. MAPW calculation of the anisotropic positron annihilation in copper. Appl. Phys. 3, 307–311 (1974). https://doi.org/10.1007/BF00887280
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DOI: https://doi.org/10.1007/BF00887280