Fitting rovibrational molecular data

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  • Thread starter Malamala
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Hello! I have some data for rovibrational transitions between a ##X^2\Sigma^+## and ##A^2\Pi_{1/2}## and I need to extract the molecular parameters (e.g. B, D, ##\gamma## etc) for the 2 levels. I tried pgopher for a while, using Hund case B and A for the 2 states, respectively. However it doesn't seem to fit the data very well. When some region of the scan matches the data well, other regions are not that good. As far as I understand, pgopher doesn't have an automatically implemented Hund case C (which might be the case for ##A^2\Pi_{1/2}##). I was wondering if someone can give me any advice, or suggest another software to fit my data. Thank you!
 

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