Knowledge Bank

The program krot for the simulation, assignment and fitting of rotationally resolved spectra is presented. A graphical user interface has been developed based on the $KDEa$ libraries. It displays several experimental and simulated spectra simultaneously and allows one to make assignments using a mouse-driven interface. Currently the program uses a single engine for the calculation and least-squares-fitting of spectra, but provisions are made to call any program or set of routines to do the actual calculations. The current calculation program $arnirotb$ allows the calculation of microwave and vibrational/vibronic spectra of asymmetric rotors, including centrifugal distortion terms in Watson's A- or S-reduction. Moreover linear terms for the description of axis reorientation or coupling to internal motions are included. A link to the download page is given at http://www-public.rz.uni-duesseldorf.de/\~{}mschmitt/HRLIF.htm.