4.2 Article

Electron- and positron-molecule scattering: development of the molecular convergent close-coupling method

出版社

IOP PUBLISHING LTD
DOI: 10.1088/1361-6455/aa6e74

关键词

electron scattering; positron scattering; excitation; ionisation; molecular hydrogen

资金

  1. United States Air Force Office of Scientific Research (AOARD)
  2. Los Alamos National Laboratory (LANL)
  3. Curtin University
  4. LANL's ASC PEM Atomic Physics
  5. National Nuclear Security Administration of the US Department of Energy [DEAC52-06NA25396]

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Starting from first principles, this tutorial describes the development of the adiabatic-nuclei convergent close-coupling (CCC) method and its application to electron and (single-centre) positron scattering from diatomic molecules. We give full details of the single-centre expansion CCC method, namely the formulation of the molecular target structure; solving the momentum-space coupled-channel Lippmann-Schwinger equation; deriving adiabatic-nuclei cross sections and calculating V-matrix elements. Selected results are presented for electron and positron scattering from molecular hydrogen H-2 and electron scattering from the vibrationally excited molecular hydrogen ion H-2(+) and its isotopologues (D-2(+), T-2(+), HD+, HT+ and TD+). Convergence in both the close-coupling (target state) and projectile partial-wave expansions of fixed-nuclei electron-and positron-molecule scattering calculations is demonstrated over a broad energyrange and discussed in detail. In general, the CCC results are in good agreement with experiments.

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