MOLSCAT

MOLSCAT is a general-purpose package for performing non-reactive quantum scattering calculations for atomic and molecular collisions using coupled-channel methods. Simple atom-molecule and molecule-molecule collision types are coded internally and additional ones may be handled with plug-in routines. Plug-in routines may include external magnetic, electric or photon fields (and combinations of them). Simple interaction potentials may be specified in input data and more complicated ones may be handled with plug-in routines.

The programs are written in Fortran 90, though with many features from older versions of Fortran. They have been tested with common Fortran compilers including gfortran and ifort.

MOLSCAT was originally developed by Jeremy M. Hutson of the University of Durham and the late Sheldon Green of NASA/GISS. The code was made available on the NASA/GISS website by Green, but the last version so posted was version 14, in 1995, just before Dr. Green's death. In January 2019, Hutson and Ruth Le Seur posted a new full release of MOLSCAT, dubbed "MOLSCAT 2019.0".

To learn more about the lastest release of MOLSCAT and to download the latest code and documentation, please visit the MOLSCAT repository on GitHub.

If you are interested in obtaining the historical MOLSCAT version 14 or version 12, you may download a complete copy of the old MOLSCAT source code, documentation and webpages as a gzipped tarball.

Contact

If you have any questions about MOLSCAT, please use the package's GitHub repository to post an issue, or else e-mail Dr. Jeremy M. Hutson.