Calculation of line lists for OH+ and OH-

(supervisor: Maire Gorman)

Nature of project: data analysis, software

Available to full-time physicists or joint students.

Project description and methodology

This project is based on molecular spectroscopy and would form part of the ExoMol project.

The aim of this project is to generate ground state line lists for both OH+ and OH-. This will be done by gathering and formatting experimental data for these molecules and fitting to an analytical function (Extended Morse Oscillator). The software packages used for the analysis of the experimental data are PGOPHER and MARVEL. Note this project is software/data analysis in nature-yes you will be using published experimental data but not actually in a laboratory taking measurements.

OH+ and OH- are of interest for the inter-stellar medium (ISM) and there are also atmospheric applications.

A successful project will develop beyond the above in one/some of the following directions:
Calculation of excited states for OH+ and OH- using MOLPRO (electronic structure calculations).

Analysis of spectra.

When considering where to take your project, please bear in mind the time available. It is preferable to do fewer things well than to try many and not get conclusive results on any of them. However, sometimes it is useful to have a couple of strands of investigation in parallel to work on in case delays occur.

This project is only available as a Y3 project.

Initial literature for students:

  1. http://exomol.com/
  2. http://kkrk.chem.elte.hu/marvelonline/index.php
  3. http://pgopher.chm.bris.ac.uk/

Novelty, degree of difficulty and amount of assistance required

The ExoMol process of producing a ground state line list for diatomics is tried and tested.

Project milestones and deliverables (including timescale)

milestoneto be completed by
Identification of experimental data.Christmas
Formatting of experimental data.end of February
Analysis of experimental data.mid-March
Fitting of experimental data. Easter