Molecule Types Linear Molecules

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Linear Molecule Sample Data Files

• an O2 microwave spectrum - this is a microwave spectrum and involves a spin magnetic dipole transition moment. If also shows how to simulate for different isotopes, including ¹⁸O¹⁶O (no g/u symmetry) and ¹⁷O¹⁶O (nuclear hyperfine structure)
• The C2 Swan band - this is an example of an electronic spectrum. Two examples are given; one is a simple example including one vibrational band only, the other is more complicated and includes many vibrational bands.
• Hyperfine structure in the B - X transition in I₂. This shows how to handle hyperfine structure and take account of equivalent nuclei.
• Electronic spectrum of the A⁵Σ - X⁵Π transition of CrO. An example of states with high multiplicity. It also shows an example of how to handle constants that are not presented in quite the same way as PGOPHER requires them.
• Zeeman and Stark Effects in SO - this shows the sort of set up required to simulate the defects of external fields, and to fit line position data in the presence of a field.