Electron- and positron-molecule scattering: Development of the molecular convergent close-coupling method
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, name...
| Main Authors: | , , , |
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| Format: | Journal Article |
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Institute of Physics Publishing Ltd.
2017
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| Online Access: | http://hdl.handle.net/20.500.11937/54621 |
| _version_ | 1848759418654556160 |
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| author | Zammit, M. Fursa, Dmitry Savage, J. Bray, Igor |
| author_facet | Zammit, M. Fursa, Dmitry Savage, J. Bray, Igor |
| author_sort | Zammit, M. |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | 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 H2 and electron scattering from the vibrationally excited molecular hydrogen ion and its isotopologues (D2+, , 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 energy-range and discussed in detail. In general, the CCC results are in good agreement with experiments. |
| first_indexed | 2025-11-14T09:59:34Z |
| format | Journal Article |
| id | curtin-20.500.11937-54621 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T09:59:34Z |
| publishDate | 2017 |
| publisher | Institute of Physics Publishing Ltd. |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-546212018-03-01T05:25:55Z Electron- and positron-molecule scattering: Development of the molecular convergent close-coupling method Zammit, M. Fursa, Dmitry Savage, J. Bray, Igor 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 H2 and electron scattering from the vibrationally excited molecular hydrogen ion and its isotopologues (D2+, , 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 energy-range and discussed in detail. In general, the CCC results are in good agreement with experiments. 2017 Journal Article http://hdl.handle.net/20.500.11937/54621 10.1088/1361-6455/aa6e74 Institute of Physics Publishing Ltd. restricted |
| spellingShingle | Zammit, M. Fursa, Dmitry Savage, J. Bray, Igor Electron- and positron-molecule scattering: Development of the molecular convergent close-coupling method |
| title | Electron- and positron-molecule scattering: Development of the molecular convergent close-coupling method |
| title_full | Electron- and positron-molecule scattering: Development of the molecular convergent close-coupling method |
| title_fullStr | Electron- and positron-molecule scattering: Development of the molecular convergent close-coupling method |
| title_full_unstemmed | Electron- and positron-molecule scattering: Development of the molecular convergent close-coupling method |
| title_short | Electron- and positron-molecule scattering: Development of the molecular convergent close-coupling method |
| title_sort | electron- and positron-molecule scattering: development of the molecular convergent close-coupling method |
| url | http://hdl.handle.net/20.500.11937/54621 |