Madden, DS;
(2012)
Dissociative recombination of CH+ : a calculation using the R-Matrix method.
Doctoral thesis , UCL (University College London).
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Abstract
CH+ is one of many molecules important in astrophysics observations and is of interest for the formation of large hydrocarbons. A key feature of work on CH+ has being its observed overabundance in the interstellar medium compared to calculated predictions. The molecular R-Matrix with Pseudo-States (RMPS) method is applied to CH+ for internuclear separations of 0.7-3.2 Angstrom using the UK Polyatomic R-Matrix codes. These calculations show the potential energy curves for the four lowest states and we identify resonances below the 3\prod threshold. We perform an initial calculation of the dissociative recombination cross sections from the resonance curves. We also detail our contributions to the UKRmol initiative, involving the creation of a consistent core of R-matrix codes.
| Type: | Thesis (Doctoral) |
|---|---|
| Title: | Dissociative recombination of CH+ : a calculation using the R-Matrix method |
| Open access status: | An open access version is available from UCL Discovery |
| Language: | English |
| Additional information: | Copyright restricted material has been removed from the e-thesis. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1370660 |
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