There are many useful resources for microwave spectroscopy research. This page has compiled a few of these in order to ease the burden in finding them.
Websites and Short Descriptions
- Download site for Pickett’s SPFIT/SPCAT Programs – https://spec.jpl.nasa.gov/ – These programs are used for building and predicting spectra with effective Hamiltonians. Although the original author of the programs, Herb Pickett, has passed, JPL continues to curate the code and downloads for this code can be found here.
- Programs for ROtational SPEctroscopy (PROSPE) – http://info.ifpan.edu.pl/~kisiel/prospe.htm – Authored by Zbigniew Kisiel, this website is a go-to resource for any rotational spectroscopist. It contains programs for interpretation of calculations and spectra, a front end program to work with SPFIT/SPCAT, programs for structural determination from rotational spectra, and tips and tricks for using SPFIT and SPCAT.
- The Cologne Database for Molecular Spectroscopy – https://cdms.astro.uni-koeln.de/ – This website contains molecules detected in space as well as examples of fitting both trivial and nontrivial species in Pickett’s SPFIT/SPCAT program suite.
- Basis Set Exchange – https://www.basissetexchange.org/ – The Basis Set Exchange website provides basis set codes for atoms for a multitude of different standard computational software packages. This site is extremely useful when performing molecular structure calculations.
- Pseudopotentials from the Stuttgart/Cologne Group – https://www.tc.uni-koeln.de/PP/clickpse.en.html – This website provides code for different pseudopotentials to be used for atoms when performing molecular structure calculations using a multitude of different standard computational software packages.