Nuclear Dynamics in the Molecular Convergent Close-Coupling Method
| dc.contributor.author | Scarlett, Liam | |
| dc.contributor.supervisor | Dmitry Fursa | en_US |
| dc.contributor.supervisor | Igor Bray | en_US |
| dc.date.accessioned | 2022-02-24T06:03:21Z | |
| dc.date.available | 2022-02-24T06:03:21Z | |
| dc.date.issued | 2021 | en_US |
| dc.identifier.uri | http://hdl.handle.net/20.500.11937/87913 | |
| dc.description.abstract |
Theoretical and computational modelling of collisions between electrons and the hydrogen molecule (H2) as well as its five isotopologues has been conducted. The technique applied is the molecular convergent close-coupling (MCCC) method, with a particular focus on the treatment of nuclear dynamics in the MCCC calculations. Cross sections for over 60,000 vibrationally-resolved transitions have been calculated within the adiabatic-nuclei approximation, and a new vibrational-electronic close-coupling method has been developed to study resonant electron-molecule collisions. | en_US |
| dc.publisher | Curtin University | en_US |
| dc.title | Nuclear Dynamics in the Molecular Convergent Close-Coupling Method | en_US |
| dc.type | Thesis | en_US |
| dcterms.educationLevel | PhD | en_US |
| curtin.department | School of Electrical Engineering, Computing and Mathematical Sciences | en_US |
| curtin.accessStatus | Open access | en_US |
| curtin.faculty | Science and Engineering | en_US |
| curtin.contributor.orcid | Scarlett, Liam [0000-0002-9900-9712] | en_US |